Di(nonyl)carbamodithioic acid
Basic information
- CAS
93918-44-6- Standard SMILES
CCCCCCCCCN(CCCCCCCCC)C(=S)S- InChIKey
ULPXPCXAHFNIJI-UHFFFAOYSA-N- Molecular formula
- C19H39NS2
- Average molar mass
- 345.7 g/mol
- Monoisotopic mass
- 345.2523926
Names & identifiers
- Preferred name
- Di(nonyl)carbamodithioic acid
- IUPAC
- di(nonyl)carbamodithioic acid
Names & synonyms
di(nonyl)carbamodithioic acidCarbamic acid, dinonyldithio-Carbamodithioic acid, dinonyl-9ERM23B64QSCHEMBL366961293918-44-6
Database identifiers
- CAS
93918-44-6- PubChem CID
- 84289
- UNII
- 9ERM23B64Q
- Nikkaji
- J312.621H
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 226
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Compound notes
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