Dibenzo[b,f][1,4]thiazepin-11(10H)-one

Basic Information

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CAS Number

3159-07-7

Molecular Formula

C13H9NOS

Molecular Weight

227.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data avaiable

Melting Point

265°C

Boiling Point

309.2°C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

140.8±19.6 °C

Refractive Index

1.666

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)

InChIKey

RTERDTBXBYNZIS-UHFFFAOYSA-N

LogP

3.403500000000001

Topological Polar Surface Area

29.1 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

281

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

di-benzo[b,f ][1,4]thiazepin-11(10h)-one
FL6FG1E3WF
NSC653252
SB67310
NSC-653252
AM20040155
AE-641/30103015
Quetiapine fumarate impurity G [EP]
Quetiapine Impurtiy G
dibenzo[b,f][1,4]thiazepine-11(10-H)-one
SCHEMBL8988
dibenz[b,f][1,4]thiazepin-11(10H)-one
Dibenzothiazepinone [USP]
10,11-DIHYDRO-11-OXODIBENZO(B,F)(1,4)THIAZEPINE
2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
10,11-dihydro-11-oxodibenz[b,f][1,4]thiazepine
HMS2666M13
3159-07-7
10,11-dihydrodibenzo[b,f][1,4] thiazepin-11-one
dibenzo-[b,f][1,4]thiazepin-11-one
CHEMBL598054
MFCD00901197
dibenzo[b,f][1,4]thiazepine-11-(10H)one
Quetiapine Impurity G
Dibenzo[b,f][1,4]thiazepinone
Dibenzo[b,f][1,4]thiazepin-11(10H)-one; Quetiapine Fumarate Imp. G (EP); Quetiapine Related Compound G; Quetiapine Fumarate Impurity G; Quetiapine Impurity G
10H-dibenzo[b,f][1,4]thiazepine-11-one
Dibenzo[b,f][1,4]thiazepin-11-ol
O10365
Dibenzo[b,f][1,4]thiazepin-11(10H)-one
EN300-6732829

MDL Number

MFCD00901197

Customs Code

2934999090

FAQ

What is Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7)?

Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) is a heterocyclic compound containing a thiazepine ring fused with two benzene rings. It has a molecular formula of C16H10N2O2S2 and is characterized by its aromatic structure, moderate solubility in organic solvents, and stability under standard conditions. This compound is commonly used as a key intermediate in pharmaceutical and chemical synthesis.

What are the main uses of Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7)?

Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) is primarily utilized in pharmaceutical research for developing drugs targeting neurological disorders. It serves as an intermediate in the synthesis of various medications, including anticonvulsants and antidepressants. Additionally, it finds applications in organic chemistry for creating complex molecules and in research for studying chemical reactivity and structure.

Is Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) safe?

Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) is generally considered safe when handled properly. However, it may cause mild irritation to skin or eyes upon exposure. Safety precautions include using personal protective equipment (PPE) and ensuring adequate ventilation. While not classified as highly toxic, adherence to standard safety protocols is recommended to minimize risks during handling and storage.

How should Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) be stored?

Dibenzo[b,f][1,4]thiazepin-11(10H)-one (CAS: 3159-07-7) should be stored in a cool, dry place (ideally 2-8°C), protected from light, and in a sealed container to prevent moisture ingress. It is stable under these conditions but may degrade if exposed to excessive heat or humidity. Proper storage ensures chemical integrity and safety during handling.