Basic information
- CAS
63018-59-7- Standard SMILES
SCc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
RTKQFAVQPMAHIH-UHFFFAOYSA-N- Molecular formula
- C19H14S
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.08162162
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE-7-METHANETHIOL
- IUPAC
- benzo[a]anthracen-7-ylmethanethiol
- English name
- Benz[a]anthracene-7-methanethiol
- Molecular formula
- C19H14S
- Molecular weight
- 274.38
Names & synonyms
BENZ(a)ANTHRACENE-7-METHANETHIOL63018-59-7Benz[a]anthracene-7-methanethiolBRN 33181051,2-Benzanthryl-10-methylmercaptan(tetraphen-7-yl)methanethiol3-06-00-03737 (Beilstein Handbook Reference)DTXSID40212246benzo[b]phenanthren-7-yl-methanethiolAKOS015905399DB-318633
Database identifiers
- CAS
63018-59-7- PubChem CID
- 44266
- DTXSID
DTXSID40212246- Nikkaji
- J73.186B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Density
- 1.1644 · 1.1644 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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