3-Piperidinethiol, 1-methyl-
Basic information
- CAS
98278-56-9- Standard SMILES
CN1CCCC(S)C1- InChIKey
XSNHICJZIUNEOS-UHFFFAOYSA-N- Molecular formula
- C6H13NS
- Average molar mass
- 131.24 g/mol
- Monoisotopic mass
- 131.07687059
Names & identifiers
- Preferred name
- 3-Piperidinethiol, 1-methyl-
- IUPAC
- 1-methylpiperidine-3-thiol
Names & synonyms
98278-56-93-Piperidinethiol, 1-methyl-RefChem:2819121-methylpiperidine-3-thiol1-methyl-piperidine-3-thiol1-methyl-5-mercaptopiperidineSCHEMBL5075858SCHEMBL5075859DTXSID001308572AKOS017517539EN300-1288600
Database identifiers
- CAS
98278-56-9- PubChem CID
- 228345
- DTXSID
DTXSID001308572
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…