Benthiocarb
Properties
- Molecular formula
- C12H16ClNOS
- Molar mass
- 257.78 g/mol
- Exact mass
- 257.0641 Da
- Density
- 1.145–1.18 g/mL (at 20 °C)
- Melting point
- 3.3 °C
- Boiling point
- 126–129 °C
- Water solubility
- 28 mg/L (25 °C)
- logP
- 4.04Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 006-063-00-0), via PubChem.
Precautionary statements
P264, P270, P273, P301+P317, P330, P391, P501
Identifiers
CAS number
28249-77-6SMILES
CCN(CC)C(=O)SCc1ccc(Cl)cc1InChIKey
QHTQREMOGMZHJV-UHFFFAOYSA-NInChI
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
23 names · show all
- Carbamothioic acid, N,N-diethyl-, S-[(4-chlorophenyl)methyl] ester
- Carbamic acid, diethylthio-, S-(p-chlorobenzyl) ester
- Carbamothioic acid, diethyl-, S-[(4-chlorophenyl)methyl] ester
- α-Toluenethiol, p-chloro-, diethylcarbamate
- Saturn (pesticide)
- IMC 3950
- S-(p-Chlorobenzyl) N,N-diethylthiocarbamate
- S-(4-Chlorobenzyl) N,N-diethylthiocarbamate
- Saturn
- S-p-Chlorobenzyl diethylthiocarbamate
- S-(p-Chlorobenzyl) N,N-diethylthiolocarbamate
- p-Chlorobenzyl N,N-diethylthiolcarbamate
- p-Chlorobenzyl diethylthiolcarbamate
- B 3015
- S-(4-Chlorobenzyl) diethylthiolcarbamate
- Thiobencarb
- S-4-Chlorobenzyl N,N-diethylthiolcarbamate
- S-(4-Chlorobenzyl) diethylthiocarbamate
- Bolero
- Bolero 8EC
- Sadan
- B 3015 (Pesticide)
- Bencarb
Work with Benthiocarb
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-(p-Chlorophenyl)acetone5586-88-940 % similar
Chlorbenside103-17-339 % similar
1-Chloro-4-ethylbenzene622-98-039 % similar
p-Chlorophenylacetic acid ethyl ester14062-24-939 % similar
4-Chlorobenzeneacetyl chloride25026-34-038 % similar
S-Propyl-N-butyl-N-ethylthiocarbamate1114-71-237 % similar
Methyl 4-chlorobenzeneacetate52449-43-137 % similar
1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-837 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds