Thiopyrano(2,3-b)indole, 2,3,4,9-tetrahydro-4-(aminomethyl)-6-chloro-
Basic information
- CAS
73425-51-1- Standard SMILES
NCC1CCSc2[nH]c3ccc(Cl)cc3c21- InChIKey
SXGIUXPCEVZFRI-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2S
- Average molar mass
- 252.76 g/mol
- Monoisotopic mass
- 252.0487973
Names & identifiers
- Preferred name
- Thiopyrano(2,3-b)indole, 2,3,4,9-tetrahydro-4-(aminomethyl)-6-chloro-
- IUPAC
- (6-chloro-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)methanamine
- English name
- 6-Chloro-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine
- Molecular weight
- 0
Names & synonyms
73425-51-1BRN 05287686-Chloro-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine4-(Aminomethyl)-6-chloro-2,3,4,9-tetrahydrothiopyrano(2,3-b)indoleThiopyrano(2,3-b)indole, 2,3,4,9-tetrahydro-4-(aminomethyl)-6-chloro-Thiopyrano(2,3-b)indole-4-methylamine, 2,3,4,9-tetrahydro-6-chloro-RefChem:385335DTXSID209941541-(6-Chloro-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)methanamine
Database identifiers
- CAS
73425-51-1- PubChem CID
- 3056089
- DTXSID
DTXSID20994154
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
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Related reactions
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Compound notes
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