Ethyl N,N-diethylcarbamodithioate
Basic information
- CAS
4740-11-8- Standard SMILES
CCSC(=S)N(CC)CC- InChIKey
RKDROQWWHWDICV-UHFFFAOYSA-N- Molecular formula
- C7H15NS2
- Average molar mass
- 177.3 g/mol
- Monoisotopic mass
- 177.06459183
Names & identifiers
- Preferred name
- Ethyl N,N-diethylcarbamodithioate
- IUPAC
- ethyl N,N-diethylcarbamodithioate
- English name
- Diethyldithiocarbamic acid ethyl ester
- Molecular formula
- C7H15NS2
- Molecular weight
- 177.33
Names & synonyms
CARBAMODITHIOIC ACID, DIETHYL-, ETHYL ESTER4740-11-8DTXSID00197126ethyl N,N-diethylcarbamodithioateRefChem:1085062DTXCID10119617Diethyldithiocarbamic acid ethyl esterCarbamic acid, diethyldithio-, ethyl esterEthyl diethylcarbamodithioateBRN 1755152Ethyl diethyldithiocarbamateEthyl diethyldithiocarbamate #
Show more names
Carbamodithioic acid, N,N-diethyl-, ethyl ester
SCHEMBL5972447RKDROQWWHWDICV-UHFFFAOYSA-NS-Ethyl-N,N-diethyldithiocarbamateNSC33628NSC 33628NSC-336283-04-00-00225 (Beilstein Handbook Reference)CARBAMODITHIOIC ACID, DIETHYL, ETHYL ESTER
Database identifiers
- CAS
4740-11-8- PubChem CID
- 20855
- DTXSID
DTXSID00197126- Nikkaji
- J140.955G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 228.6 · 228.6±23.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.50(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…