2-Propanethiol, 2-methyl-1-(octadecylamino)-, hydrochloride
Basic information
- CAS
69232-52-6- Standard SMILES
CCCCCCCCCCCCCCCCCCNCC(C)(C)S.Cl- InChIKey
WWKJBSRPZOZUPR-UHFFFAOYSA-N- Molecular formula
- C22H48ClNS
- Average molar mass
- 394.1 g/mol
- Monoisotopic mass
- 393.3195994
Names & identifiers
- Preferred name
- 2-Propanethiol, 2-methyl-1-(octadecylamino)-, hydrochloride
- IUPAC
- 2-methyl-1-(octadecylamino)propane-2-thiol;hydrochloride
Names & synonyms
2-Propanethiol, 2-methyl-1-(octadecylamino)-, hydrochloride69232-52-6SCHEMBL7792166DTXSID60219297WWKJBSRPZOZUPR-UHFFFAOYSA-N2-Methyl-1-(octadecylamino)propane-2-thiol--hydrogen chloride (1/1)
Database identifiers
- CAS
69232-52-6- PubChem CID
- 112266
- DTXSID
DTXSID60219297
Properties
Computed structural properties
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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