Basic information
- CAS
101491-48-9- Standard SMILES
CC(C)[NH+](C(=O)[S-])C(C)C[NH3+]- InChIKey
PHDOQTWAQRIFTI-UHFFFAOYSA-O- Molecular formula
- C7H17N2OS+
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.10615934
Names & identifiers
- Preferred name
- (1-Ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioate
- IUPAC
- [1-azaniumylpropan-2-yl(propan-2-yl)azaniumyl]methanethioate
Names & synonyms
(1-ammoniopropan-2-yl)(propan-2-yl)ammoniumcarbothioateDTXSID90275629101491-48-9(1-Azaniumylpropan-2-yl)(propan-2-yl)ammoniumcarbothioate
Database identifiers
- CAS
101491-48-9- PubChem CID
- 58413
- DTXSID
DTXSID90275629
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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