8-Chloro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
Basic information
- CAS
14120-24-2- Standard SMILES
Clc1ccc2[nH]c3c(c2c1)CSCC3- InChIKey
YRXCTTFWTHHYGE-UHFFFAOYSA-N- Molecular formula
- C11H10ClNS
- Average molar mass
- 223.72 g/mol
- Monoisotopic mass
- 223.0222482
Names & identifiers
- Preferred name
- 8-Chloro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
- IUPAC
- 8-chloro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole
Names & synonyms
8-chloro-1,3,4,5-tetrahydrothiopyrano[4,3-b]indole14120-24-28-CHLORO-1H,3H,4H,5H-THIOPYRANO[4,3-B]INDOLENSC150764DTXSID10302380AKOS014670949NSC-150764EN300-742172
Database identifiers
- CAS
14120-24-2- PubChem CID
- 289121
- DTXSID
DTXSID10302380
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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