Basic information
- CAS
239-12-3- Standard SMILES
c1ccc2c3csc4ccccc4c-3nc2c1- InChIKey
LVRMUSVWQJOVKM-UHFFFAOYSA-N- Molecular formula
- C15H9NS
- Average molar mass
- 235.31 g/mol
- Monoisotopic mass
- 235.04557046
Names & identifiers
- Preferred name
- (1)Benzothiopyrano(4,3-b)indole
- IUPAC
- thiochromeno[4,3-b]indole
- English name
- [1]Benzothiopyrano[4,3-b]indole
- Molecular formula
- C15H9NS
- Molecular weight
- 235.3
Names & synonyms
239-12-3(1)BENZOTHIOPYRANO(4,3-b)INDOLEBenz(b)indolo(2,3-d)thiopyranBRN 1075508[1]benzothiopyrano[4,3-b]indoleDTXSID40178595RefChem:203909DTXCID00101086thiochromeno[4,3-b]indoleSCHEMBL4492071SCHEMBL31325344[1]Benzothiopyrano[4,3-b]indole (8CI,9CI)
Database identifiers
- CAS
239-12-3- PubChem CID
- 9197
- DTXSID
DTXSID40178595- Nikkaji
- J41.935D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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