2-[(3-Aminopropyl)sulfanyl]ethan-1-ol
Basic information
- CAS
37078-78-7- Standard SMILES
NCCCSCCO- InChIKey
TURGSUHERZMDLT-UHFFFAOYSA-N- Molecular formula
- C5H13NOS
- Average molar mass
- 135.23 g/mol
- Monoisotopic mass
- 135.07178521
Names & identifiers
- Preferred name
- 2-[(3-Aminopropyl)sulfanyl]ethan-1-ol
- IUPAC
- 2-(3-aminopropylsulfanyl)ethanol
Names & synonyms
37078-78-72-[(3-Aminopropyl)sulfanyl]ethan-1-olSCHEMBL9016278DTXSID60563545EN300-6991715
Database identifiers
- CAS
37078-78-7- PubChem CID
- 14744965
- DTXSID
DTXSID60563545
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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