Basic information
- CAS
32362-68-8- Standard SMILES
Cc1c2ccccc2c(C)c2c1sc1ccccc12- InChIKey
WOFSBEKGNNEKRM-UHFFFAOYSA-N- Molecular formula
- C18H14S
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.08162162
Overview
a weakly carcinogenic 4,5-sulfur analog of DMBA (7,12-dimethylbenz(a)anthracene); structure given in first source
Names & identifiers
- Preferred name
- 6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene
- IUPAC
- 6,11-dimethylnaphtho[2,3-b][1]benzothiole
- English name
- 6,11-dimethylbenzo(b)naphtho(2,3-d)thiophene
- Molecular formula
- C18H14S
- Molecular weight
- 262.37
Names & synonyms
6,11-Dimethylbenzo(b)naphtho(2,3-d)thiophene4,9-Dimethyl-2,3-benzthiophanthrene32362-68-8AS6L874ZKV6,11-DIMETHYLBENZO[B]NAPHTHO[2,3-D]THIOPHENEBENZO(b)NAPHTHO(2,3-d)THIOPHENE, 6,11-DIMETHYL-DTXSID40186079S-DMBARefChem:103701DTXCID00108570BRN 0205644UNII-AS6L874ZKV
Show more names
Benzo[b]naphtho[2,3-d]thiophene, 6,11-dimethyl-
4-17-00-00726 (Beilstein Handbook Reference)
Database identifiers
- CAS
32362-68-8- PubChem CID
- 36110
- DTXSID
DTXSID40186079- UNII
- AS6L874ZKV
- Nikkaji
- J36.034A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- Boiling point
- 365.62 °C · 365.62°C (rough estimate)
- Density
- 1.1836 · 1.1836 (rough estimate)
- refractive index
- 1.617 · 1.6170 (estimate)
- FDA UNII
- 6 L874ZKV · AS6L874ZKV
Chemistry & industry
Suppliers1 total
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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