Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
Basic information
- CAS
63505-34-0- Standard SMILES
CCCCN(CCCC)C(=S)SCCC#N- InChIKey
POKOHLZMQPCOHD-UHFFFAOYSA-N- Molecular formula
- C12H22N2S2
- Average molar mass
- 258.5 g/mol
- Monoisotopic mass
- 258.12244106
Names & identifiers
- Preferred name
- Carbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester
- IUPAC
- 2-cyanoethyl N,N-dibutylcarbamodithioate
- English name
- Dibutyldithiocarbamic acid 2-cyanoethyl ester
- Molecular formula
- C12H22N2S2
- Molecular weight
- 258.45
Names & synonyms
S-2-Cyanoethyl N,N-di-n-butyldithiocarbamateCarbamodithioic acid, dibutyl-, 2-cyanoethyl esterCarbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl esterRefChem:5741052-Cyanoethyl dibutyldithiocarbamate63505-34-02-cyanoethyl dibutylcarbamodithioateDTXSID5069914POKOHLZMQPCOHD-UHFFFAOYSA-NDibutyldithiocarbamic acid 2-cyanoethyl ester
Database identifiers
- CAS
63505-34-0- PubChem CID
- 113307
- DTXSID
DTXSID5069914- Nikkaji
- J429.595A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Cyanoethyl dibutyldithiocarbamate (63505-34-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamodithioic acid, N,N-dibutyl-, 2-cyanoethyl ester: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…