Di-(isobutyl)dithiocarbamic acid
Basic information
- CAS
7283-77-4- Standard SMILES
CC(C)CN(CC(C)C)C(=S)S- InChIKey
CBQPQMSTIARRSA-UHFFFAOYSA-N- Molecular formula
- C9H19NS2
- Average molar mass
- 205.4 g/mol
- Monoisotopic mass
- 205.09589196
Names & identifiers
- Preferred name
- Di-(isobutyl)dithiocarbamic acid
- IUPAC
- bis(2-methylpropyl)carbamodithioic acid
Names & synonyms
Di-(isobutyl)dithiocarbamic acid7283-77-4DTXSID50223146RefChem:336864DTXCID50145637bis(2-methylpropyl)carbamodithioic aciddiisobutylcarbamodithioic acidDi(isobutyl)dithiocarbamic aciddi-isobutyldithiocarbamic acidSCHEMBL2923510CHEMBL2027871
Database identifiers
- CAS
7283-77-4- PubChem CID
- 75204
- DTXSID
DTXSID50223146- ChEMBL
CHEMBL2027871- Nikkaji
- J555.299K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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