1-Propanethiol, 2-(butylamino)-
Basic information
- CAS
100911-72-6- Standard SMILES
CCCCNC(C)CS- InChIKey
NSTVZZCTIFPRKB-UHFFFAOYSA-N- Molecular formula
- C7H17NS
- Average molar mass
- 147.28 g/mol
- Monoisotopic mass
- 147.10817072
Names & identifiers
- Preferred name
- 1-Propanethiol, 2-(butylamino)-
- IUPAC
- 2-(butylamino)propane-1-thiol
Names & synonyms
1-Propanethiol, 2-(butylamino)-100911-72-6RefChem:10568872-(Butylamino)-1-propanethiolBRN 18116362-(butylamino)propane-1-thiol3-04-00-00738 (Beilstein Handbook Reference)DTXSID50905839AKOS006356787
Database identifiers
- CAS
100911-72-6- PubChem CID
- 3063451
- DTXSID
DTXSID50905839
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 56.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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