Basic information
- CAS
55790-39-1- Standard SMILES
CCN(CC)CCCS- InChIKey
XQFQYOHHVAEHPL-UHFFFAOYSA-N- Molecular formula
- C7H17NS
- Average molar mass
- 147.28 g/mol
- Monoisotopic mass
- 147.10817072
Names & identifiers
- Preferred name
- 3-(Diethylamino)-1-propanethiol
- IUPAC
- 3-(diethylamino)propane-1-thiol
- English name
- 3-(Diethylamino)-1-propanethiol
- Molecular formula
- C7H17NS
- Molecular weight
- 147.28
Names & synonyms
1-Propanethiol, 3-(diethylamino)-55790-39-13-(Diethylamino)-1-propanethiolNSC-991053-diethylaminopropane-1-thiol6Q5V6PW5H9DTXSID60204360RefChem:1067046DTXCID601268513-(diethylamino)propane-1-thiol3-DiethylaminopropanethiolN-Diaethylhomocysteamin [German]
Show more names
Triethylamine, 2-mercaptomethyl-N-DiaethylhomocysteaminPropylamine, N,N-diethyl-3-mercapto-BRN 1734169NSC991053-Diethylamino-1-propanethiolSCHEMBL297274SCHEMBL5933183
Database identifiers
- CAS
55790-39-1- PubChem CID
- 97088
- DTXSID
DTXSID60204360- UNII
- 6Q5V6PW5H9
- Nikkaji
- J90.371J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 4.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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