Basic information
- CAS
5891-07-6- Standard SMILES
CCCNCCS- InChIKey
RVHUIQSWHPZCCP-UHFFFAOYSA-N- Molecular formula
- C5H13NS
- Average molar mass
- 119.23 g/mol
- Monoisotopic mass
- 119.07687059
Names & identifiers
- Preferred name
- Ethanethiol, 2-propylamino-
- IUPAC
- 2-(propylamino)ethanethiol
Names & synonyms
Ethanethiol, 2-propylamino-2-Propylaminoethanethiol5891-07-6BRN 1732253DTXSID802076564-04-00-01601 (Beilstein Handbook Reference)RefChem:340571DTXCID301301472-(propylamino)ethane-1-thiolSCHEMBL366457SCHEMBL1129852AKOS006352097
Database identifiers
- CAS
5891-07-6- PubChem CID
- 201387
- DTXSID
DTXSID80207656- Nikkaji
- J87.818I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 31.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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