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Basic information
- CAS
6944-46-3- Standard SMILES
CSC(=O)NCCCNC(C)C- InChIKey
DXAHBEUAVRREEH-UHFFFAOYSA-N- Molecular formula
- C8H18N2OS
- Average molar mass
- 190.31 g/mol
- Monoisotopic mass
- 190.11398438
Names & identifiers
- Preferred name
- S-methyl N-[3-(propan-2-ylamino)propyl]carbamothioate
- IUPAC
- S-methyl N-[3-(propan-2-ylamino)propyl]carbamothioate
Names & synonyms
6944-46-3NSC58738DTXSID50989295NSC-58738S-Methyl hydrogen {3-[(propan-2-yl)amino]propyl}carbonimidothioate
Database identifiers
- CAS
6944-46-3- PubChem CID
- 246149
- DTXSID
DTXSID50989295
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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