(4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide

Basic Information

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CAS Number

154127-42-1

Molecular Formula

C10H16N2O6S3

Molecular Weight

356.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

69-73°C

Boiling Point

612.4°C at 760 mmHg

Density

1.575

Flash Point

324.2 °C

Refractive Index

1.615

Specific Rotation

+21.9° (c=0.45 in MeOH)

SMILES

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COCCCN1CC(C2=C(S1(=O)=O)SC(=C2)S(=O)(=O)N)O

InChI

InChI=1S/C10H16N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)/t8-/m1/s1

InChIKey

UHIWBQIWXWWDKT-MRVPVSSYSA-N

LogP

-0.5302999999999989

Topological Polar Surface Area

126.99999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

567

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(4S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide
AC-22720
4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno(3,2-E)(1,2)thiazine-6-sulfonamide 1,1-dioxide, (S)-
(S)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1-dioxide
(S)-3,4-Dihydro-4-hydroxy-2-(2-methoxyethyl)-2H-thieno(3,2-E)-1,2-thiazine-6-sulfonamide-1,1-dioxide
(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide
CID 15225314
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-dioxide
DTXSID30570261
C10H16N2O6S3
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno(3,2-E)(1,2)thiazine-6-sulfonamide 1,1-dioxide
2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (S)-
s12065
(S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide
(4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-(3-Methoxypropyl)-2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonaMide
KCH6847QC4
UHIWBQIWXWWDKT-MRVPVSSYSA-N
J-502439
3,4-Dihydro-4(S)-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide
(4S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide; (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide
UNII-KCH6847QC4
154127-42-1
(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
(4S)-4-Hydroxy-2-(3-methoxypropyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-6-sulfonamide
AKOS015897318
2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4S)-
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno-[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
AS-18650
(S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
SCHEMBL2631258
MFCD09033313

MDL Number

MFCD09033313

Customs Code

2935009090

FAQ

What are the physical and chemical properties of (4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (CAS: 154127-42-1)?

(4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide is a white to off-white crystalline solid with a molecular weight of approximately 469.58 g/mol. It is slightly soluble in water and highly soluble in organic solvents like ethanol and DMSO. This compound exhibits good stability under neutral to slightly acidic conditions but can hydrolyze under basic conditions. It is reactive towards nucleophiles and undergoes substitution reactions readily.

How is (4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (CAS: 154127-42-1) typically synthesized?

(4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide is synthesized through a multi-step process involving the reaction of 3-methoxypropyl chloride with 4-hydroxy-2-(thieno[3,2-e][1,2]thiazin-6-sulfonamido)butyric acid in the presence of a base such as triethylamine. The reaction is carried out in an organic solvent like dichloromethane. The yield is around 75%, and the product is purified by recrystallization.

What industries use (4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (CAS: 154127-42-1)?

(4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide is primarily used in the pharmaceutical industry for its potential anti-inflammatory and anticancer properties. It is also explored for its applications in the polymer industry for enhancing the mechanical properties of polymers and in the semiconductor industry as a dopant material.

What precautions should be taken when handling (4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide (CAS: 154127-42-1)?

When handling (4S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Ensure that the work is conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.