Basic information
- CAS
19970-81-1- Standard SMILES
CC1Sc2ccccc2-c2[nH]c3ccccc3c21- InChIKey
RNJKZMFTCFMSKJ-UHFFFAOYSA-N- Molecular formula
- C16H13NS
- Average molar mass
- 251.3 g/mol
- Monoisotopic mass
- 251.07687059
Names & identifiers
- Preferred name
- 6-Methyl-6,11-dihydrothiochromeno[4,3-b]indole
- IUPAC
- 6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
Names & synonyms
19970-81-16-Methyl-6,11-dihydrothiochromeno[4,3-b]indole6-Methyl-6,11-dihydrothiochromeno(4,3-b)indoleNSC150783P6NCQ2JJI6NSC-150783NSC 150783UNII-P6NCQ2JJI6BENZOTHIOPYRANO(4,3-B)INDOLE, 6,11-DIHYDRO-6-METHYL-
Database identifiers
- CAS
19970-81-1- PubChem CID
- 289136
- UNII
- P6NCQ2JJI6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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