Anthra(1,2-b)thiophene
Basic information
- CAS
227-86-1- Standard SMILES
c1ccc2cc3c(ccc4ccsc43)cc2c1- InChIKey
NMWGLCVKRMOELQ-UHFFFAOYSA-N- Molecular formula
- C16H10S
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.05032149
Names & identifiers
- Preferred name
- Anthra(1,2-b)thiophene
- IUPAC
- naphtho[2,3-g][1]benzothiole
- English name
- Anthra[1,2-b]thiophene
- Molecular weight
- 0
Names & synonyms
ANTHRA(1,2-b)THIOPHENEanthra[1,2-b]thiopheneBRN 0156937227-86-1Anthro[1,2-b]thiopheneDTXSID201772285-17-02-00432 (Beilstein Handbook Reference)Anthro(1,2-b)thiopheneRefChem:113035DTXCID7099719NMWGLCVKRMOELQ-UHFFFAOYSA-N
Database identifiers
- CAS
227-86-1- PubChem CID
- 9188
- DTXSID
DTXSID20177228- Nikkaji
- J62.270B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
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Related reactions
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Compound notes
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