Benzo(b)naphtho(1,2-d)thiophene, 3-methyl-
Basic information
- CAS
84258-63-9- Standard SMILES
Cc1ccc2c(ccc3sc4ccccc4c32)c1- InChIKey
UQVGUKYYOUAAMN-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- Benzo(b)naphtho(1,2-d)thiophene, 3-methyl-
- IUPAC
- 3-methylnaphtho[2,1-b][1]benzothiole
Names & synonyms
BRN 4426394BENZO(b)NAPHTHO(1,2-d)THIOPHENE, 3-METHYL-3-Methylbenzo(b)naphtho(1,2-d)thiophene84258-63-9DTXSID502332053-methylbenzo[b]naphtho[1,2-d]thiopheneRefChem:326129DTXCID10155696UQVGUKYYOUAAMN-UHFFFAOYSA-NBenzo[b]naphtho[1,2]thiophene, 3-methylBenzo[b]naphtho[1,2-d]thiophene, 3-methyl
Database identifiers
- CAS
84258-63-9- PubChem CID
- 55221
- DTXSID
DTXSID50233205- Nikkaji
- J132.020C
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
- 18
- Formal charge
- 0
- Complexity
- 313
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Related reactions
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Compound notes
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