Basic information
- CAS
741996-33-8- Standard SMILES
CN(CCO)CCCS- InChIKey
YMMIYRLCUZFEML-UHFFFAOYSA-N- Molecular formula
- C6H15NOS
- Average molar mass
- 149.26 g/mol
- Monoisotopic mass
- 149.08743528
Names & identifiers
- Preferred name
- Ethanol, 2-[(3-mercaptopropyl)methylamino]-
- IUPAC
- 2-[methyl(3-sulfanylpropyl)amino]ethanol
- English name
- Ethanol, 2-[(3-mercaptopropyl)methylamino]- (9CI)
- Molecular formula
- C6H15NOS
- Molecular weight
- 149.2544
Names & synonyms
741996-33-8SCHEMBL7185996AKOS017413672DB-275792ETHANOL, 2-[(3-MERCAPTOPROPYL)METHYLAMINO]-Ethanol, 2-[(3-mercaptopropyl)methylamino]- (9CI)
Database identifiers
- CAS
741996-33-8- PubChem CID
- 45088216
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 61
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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