Names
Preferred IUPAC name S-[(4-Chlorophenyl)methyl] diethylcarbamothioate
Other names Thiobencarb, Saturn, Bolero
Identifiers
CAS NumberY
3D model (JSmol)
ChEMBLY
ChemSpiderY
ECHA InfoCard
KEGGY
PubChem CID
UNIIY
CompTox Dashboard (EPA)
InChI InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3YKey:QHTQREMOGMZHJV-UHFFFAOYSA-NYInChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
SMILES Clc1ccc(cc1)CSC(=O)N(CC)CC
Properties
Chemical formulaC12H16ClNOS
Molar mass257.78g·mol−1
AppearancePale yellow to brownish-yellow liquid
Density1.145-1.180 g cm−3 at 20 °C
Melting point3.3°C (37.9°F; 276.4K)
Boiling point126 to 129°C (259 to 264°F; 399 to 402K) at 0.008 Torr
Solubility in water28.0 mg/L at 25 °C
log P3.42 (octanol/water)
Hazards
NFPA 704 (fire diamond)410
Flash point165.8°C (330.4°F; 438.9K)
Lethal dose or concentration (LD, LC):
LD 50 (median dose)Rat, oral 1300 mg/kg Mouse, oral 560 mg/kg
Except where otherwise noted, data are given for materials in their standard state (at 25°C [77°F], 100kPa). Yverify(what isYN?) Infobox references
