(2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]propane-1-thiol
Basic information
- CAS
206264-81-5- Standard SMILES
C[C@@H](CS)N1CC[C@@H]2CCC[C@@H]21- InChIKey
LCQCAGQERCYSOY-GUBZILKMSA-N- Molecular formula
- C10H19NS
- Average molar mass
- 185.33 g/mol
- Monoisotopic mass
- 185.12382078
Names & identifiers
- Preferred name
- (2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]propane-1-thiol
- IUPAC
- (2S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]propane-1-thiol
- English name
- Cyclopenta[b]pyrrole-1(2H)-ethanethiol, hexahydro--ba--methyl-, (-ba-S,3aS,6aS)- (9CI)
- Molecular formula
- C10H19NS
- Molecular weight
- 185.33
Names & synonyms
Cyclopenta[b]pyrrole-1(2H)-ethanethiol, hexahydro--bCyclopenta[b]pyrrole-1(2H)-ethanethiol, hexahydro-β-methyl-, (βS,3aS,6aS)-Cyclopenta[b]pyrrole-1(2H)-ethanethiol,hexahydro--bta--methyl-,(-bta-S,3aS,6aS)-(9CI)Cyclopenta[b]pyrrole-1(2H)-ethanethiol, hexahydro--ba--methyl-, (-ba-S,3aS,6aS)- (9CI)
Database identifiers
- CAS
206264-81-5- PubChem CID
- 10965225
- Nikkaji
- J956.104H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
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Compound notes
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