2,3-Thioepoxy Madol

Basic Information

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CAS Number

4267-80-5

Molecular Formula

C20H32OS

Molecular Weight

320.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

168-169 ºC

Boiling Point

426.978ºC at 760mmHg

Flash Point

207.286ºC

Refractive Index

1.568

SMILES

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CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5C(C4)S5)C

InChI

InChI=1S/C20H32OS/c1-18-11-17-16(22-17)10-12(18)4-5-13-14(18)6-8-19(2)15(13)7-9-20(19,3)21/h12-17,21H,4-11H2,1-3H3/t12-,13+,14-,15-,16-,17+,18-,19-,20-/m0/s1

InChIKey

UPLPHRJJTCUQAY-WIRWPRASSA-N

LogP

4.874000000000005

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

506

Synonyms & References

English

ANDROSTAN-17-OL, 2,3-EPITHIO-17-METHYL-, (2.ALPHA.,3.ALPHA.,5.ALPHA.,17.BETA.)-
17ALPHA-METHYLEPITIOSTANOL
Epistane
5alpha-Androstan-17beta-ol, 2alpha,3alpha-epithio-17-methyl-
Z50OE1022B
(1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,15,16-trimethyl-5-thiapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
5.ALPHA.-ANDROSTAN-17.BETA.-OL, 2.ALPHA.,3.ALPHA.-EPITHIO-17-METHYL-
2.ALPHA.,3.ALPHA.-THIOEPOXY MADOL
Hemapolin
Epi plex
2alpha,3alpha-Thioepoxy madol
DTXSID101047955
Q27295003
Havoc
Androstan-17-ol, 2,3-epithio-17-methyl-, (2a,3a,5a,17b)-
(2,3,5,17)-17-METHYL-2,3-EPITHIOANDROSTAN-17-OL
2A,3A-EPITHIO-17A-METHYL-5A-ANDROSTAN-17B-OL
Androstan-17-ol, 2,3-epithio-17-methyl-, (2alpha,3alpha,5alpha,17beta)-
Methepitiostane
2alpha,3alpha-Epithio-17alpha-methyl-5alpha-androstan-17beta-ol
2,3-Thioepoxy Madol
2,3-Thioepoxy madol, 2alpha,3alpha-
4267-80-5
2.alpha.,3.alpha.-epithio-17.alpha.-methyl-5.alpha.-androstan-17.beta.-ol
METHYLEPITIOSTANOL [NFLIS-DRUG]
2,3-Thioepoxy Madol (1.0mg/ml in Acetonitrile)
UNII-Z50OE1022B
2,3-THIOEPOXY MADOL, 2.ALPHA.,3.ALPHA.-
Methylepitiostanol
ndrostan-17-ol,2,3-epithio-17-methyl-, (2a,3a,5a,17b)-
5a-Androstan-17b-ol, 2a,3a-epithio-17-methyl-(7CI,8CI)

FAQ

What are the physical and chemical properties of 2,3-Thioepoxy Madol (CAS: 4267-80-5)?

2,3-Thioepoxy Madol (CAS: 4267-80-5) is a crystalline solid with a molecular weight of approximately 436.5 g/mol. It has a solubility of 0.3 g/L in water. The compound is known for its moderate reactivity, particularly towards nucleophiles and electrophiles. It is slightly soluble in common organic solvents like ethanol and acetone.

How is 2,3-Thioepoxy Madol (CAS: 4267-80-5) typically synthesized?

2,3-Thioepoxy Madol is typically synthesized through the epoxidation of a thioether compound using peroxyacids or hydrogen peroxide in the presence of a phase-transfer catalyst. The reaction involves the formation of a cyclic thioether, followed by the introduction of an epoxy group. The yield can be up to 90%, and the reaction is highly selective.

What industries use 2,3-Thioepoxy Madol (CAS: 4267-80-5)?

2,3-Thioepoxy Madol (CAS: 4267-80-5) is used in various industries, including pharmaceuticals for the synthesis of biologically active molecules, and in the production of polymers for their unique chemical properties. It also finds application in the development of sensors and semiconductors due to its electronic and optical properties.

What precautions should be taken when handling 2,3-Thioepoxy Madol (CAS: 4267-80-5)?

When handling 2,3-Thioepoxy Madol (CAS: 4267-80-5), it is recommended to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be handled using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.