Basic information
- CAS
16587-47-6- Standard SMILES
Cc1ccc2ccsc2c1- InChIKey
WOGMIMNVXACKEB-UHFFFAOYSA-N- Molecular formula
- C9H8S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.03467143
Names & identifiers
- Preferred name
- Methylbenzothiophene
- IUPAC
- 6-methyl-1-benzothiophene
- English name
- 6-Methylbenzothiophene
- Molecular formula
- C9H8S
- Molecular weight
- 148.22
Names & synonyms
METHYLBENZO(B)THIOPHENE31393-23-4RefChem:1089671DTXSID201059212250-609-2Methylbenzothiophene6-Methylbenzo[b]thiophene16587-47-66-Methylbenzothiophene6-Methyl-1-benzothiopheneBenzo[b]thiophene, 6-methyl-6-Methylbenzo(b)thiophene
Show more names
6-methylbenzenebenzothiophene6-Methylbenzothiophene in isooctane6-METHYLBENZOTHIOPHENE ISO 9001：2015 REACH
Benzo(b)thiophene, methyl-MFCD02683997Benzo(b)thiophene, 6-methyl-Benzo[b]thiophene,6-methyl-6-Methylthianaphthe6-Methylthianaphthene6-Methyl-benzothiopheneBenzothiophene, 6-methyl
Database identifiers
- CAS
16587-47-6、31393-23-4- PubChem CID
- 35790
- DTXSID
DTXSID10937136- UNII
- D62X4X8KEP
- EC Number
- 250-609-2
- Nikkaji
- J130.654E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 42 · 42.0-42.5 °C
- Boiling point
- 110 · 110-115 °C(Press: 13 Torr)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Description6-Methylbenzothiophene is a fused heterocyclic compound widely used in biochemical experiments and drug synthesis research.
Uses6-Methyl-benzothiophene may used in fields such as organic synthesis, materials science, and environmental chemistry. The presence of the sulfur atom in the thiophene ring can influence its electronic properties and reactivity, potentially allowing for interactions with various biological systems.
Upstream & downstream products
Downstream products
Suppliers40 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
3 records
Compound notes
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