Basic information
- CAS
5858-19-5- Standard SMILES
Cc1c(Cl)cc(Cl)c2c1C(=O)CS2- InChIKey
PYRFUPKTUOWRGF-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2OS
- Average molar mass
- 233.11 g/mol
- Monoisotopic mass
- 231.9516414
Names & identifiers
- Preferred name
- 5,7-Dichloro-4-methylbenzo[b]thiophene-3(2h)-one
- IUPAC
- 5,7-dichloro-4-methyl-1-benzothiophen-3-one
- English name
- 5,7-dichloro-4-methylbenzo[b]thiophene-3(2H)-one
- Molecular formula
- C9H6Cl2OS
- Molecular weight
- 233.11434
Names & synonyms
5858-19-55,7-dichloro-4-methylbenzo[b]thiophene-3(2h)-one5,7-dichloro-4-methyl-1-benzothiophen-3-one5,7-Dichloro-4-methylbenzo[b]thiophen-3(2H)-one5,7-Dichloro-4-methylbenzo(b)thiophene-3(2H)-oneEINECS 227-487-45,7-dichloro-4-methyl-1-benzothiophen-3(2h)-one7WZ96F9HBXSCHEMBL69677Benzo[b]thiophen-3(2H)-one, 5,7-dichloro-4-methyl-DTXSID40207293PYRFUPKTUOWRGF-UHFFFAOYSA-N
Show more names
5,7-dichloro-4-methyl-3-thianaphthenone5,7-dichloro-4-methyl-benzothiophen-3-one
MFCD00027388AKOS024324143SY403535DB-306361NS000339695,7-DICHLORO-4-METHYL-1-BENZOTHIOPHEN-3(2H)ONE
Database identifiers
- CAS
5858-19-5- PubChem CID
- 79966
- DTXSID
DTXSID40207293- UNII
- 7WZ96F9HBX
- EC Number
- 227-487-4
- Nikkaji
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 384.5 · 384.5±42.0 °C(Predicted)
- Density
- 1.507 · 1.507±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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