Basic information
- CAS
60786-07-4- Standard SMILES
CC(C)CN(CC(C)C)C(=O)CC(=O)NC(=S)SCc1ccccc1- InChIKey
VQTAEQLELBRDDF-UHFFFAOYSA-N- Molecular formula
- C19H28N2O2S2
- Average molar mass
- 380.6 g/mol
- Monoisotopic mass
- 380.15922049
Names & identifiers
- Preferred name
- Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl ester
- IUPAC
- benzyl N-[3-[bis(2-methylpropyl)amino]-3-oxopropanoyl]carbamodithioate
Names & synonyms
Carbamodithioic acid, (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)-, phenylmethyl esterPhenylmethyl (3-(bis(2-methylpropyl)amino)-1,3-dioxopropyl)carbamodithioate60786-07-4DTXSID20209614RefChem:332803DTXCID70132105Benzyl {3-[bis(2-methylpropyl)amino]-3-oxopropanoyl}carbamodithioate
Database identifiers
- CAS
60786-07-4- PubChem CID
- 3045459
- DTXSID
DTXSID20209614
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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