Butan-2-yl(methyl)carbamodithioic acid
Basic information
- CAS
756428-47-4- Standard SMILES
CCC(C)N(C)C(=S)S- InChIKey
STOXTVYPTWJJDF-UHFFFAOYSA-N- Molecular formula
- C6H13NS2
- Average molar mass
- 163.3 g/mol
Names & identifiers
- Preferred name
- Butan-2-yl(methyl)carbamodithioic acid
- IUPAC
- butan-2-yl(methyl)carbamodithioic acid
- English name
- Carbamodithioic acid, methyl(1-methylpropyl)- (9CI)
- Molecular formula
- C6H13NS2
- Molecular weight
- 163.30412
Names & synonyms
Carbamodithioic acid, methyl(1-methylpropyl)- (9CI)
Database identifiers
- CAS
756428-47-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
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Compound notes
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