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Basic information
- CAS
6944-44-1- Standard SMILES
CSC(=O)NCCCN(C)C- InChIKey
QROSBYLBCSHVCM-UHFFFAOYSA-N- Molecular formula
- C7H16N2OS
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.09833431
Names & identifiers
- Preferred name
- S-Methyl hydrogen [3-(dimethylamino)propyl]carbonimidothioate
- IUPAC
- S-methyl N-[3-(dimethylamino)propyl]carbamothioate
Names & synonyms
6944-44-1NSC58736DTXSID90989294S-Methyl hydrogen [3-(dimethylamino)propyl]carbonimidothioateNSC-58736
Database identifiers
- CAS
6944-44-1- PubChem CID
- 246147
- DTXSID
DTXSID90989294
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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