1H-Indole-5-thiol, 3-(2-aminoethyl)-
Basic information
- CAS
1078-01-9- Standard SMILES
NCCc1c[nH]c2ccc(S)cc12- InChIKey
IUQLRJYCXCDFAC-UHFFFAOYSA-N- Molecular formula
- C10H12N2S
- Average molar mass
- 192.28 g/mol
- Monoisotopic mass
- 192.07211956
Names & identifiers
- Preferred name
- 1H-Indole-5-thiol, 3-(2-aminoethyl)-
- IUPAC
- 3-(2-aminoethyl)-1H-indole-5-thiol
Names & synonyms
5-Mercaptotryptamine3-(2-Aminoethyl)-1H-indole-5-thiol1H-Indole-5-thiol, 3-(2-aminoethyl)-1078-01-9INDOLE-5-THIOL, 3-(2-AMINOETHYL)-DTXSID50148244RefChem:239170DTXCID5070735
Database identifiers
- CAS
1078-01-9- PubChem CID
- 14111
- DTXSID
DTXSID50148244
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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