Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzenecarbodithioicacid, 1-cyano-1-methylethyl ester |
EINECS | N/A |
CAS No. | 201611-85-0 | Density | 1.192 g/cm3 |
PSA | 81.18000 | LogP | 3.39748 |
Solubility | N/A | Melting Point |
28-31°C |
Formula | C11H11NS2 | Boiling Point | 341.391 °C at 760 mmHg |
Molecular Weight | 221.347 | Flash Point | 160.268 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
1-Cyano-1-methylethyldithiobenzoate;2-Cyanopropyl-2-yldithiobenzoate;2-Cyanoprop-2-yl dithiobenzoate; |
Article Data | 22 |
The CAS register number of Benzenecarbodithioicacid, 1-cyano-1-methylethyl ester is 201611-85-0. It also can be called as 2-Cyano-2-propanyl benzenecarbodithioate and the systematic name about this chemical is (1-cyano-1-methyl-ethyl) benzenecarbodithioate. The molecular formula about this chemical is C11H11NS2 and the molecular weight is 221.34174.
Physical properties about Benzenecarbodithioicacid, 1-cyano-1-methylethyl ester are: (1)ACD/LogP: 4.08; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 746; (5)ACD/BCF (pH 7.4): 746; (6)ACD/KOC (pH 5.5): 3962; (7)ACD/KOC (pH 7.4): 3962; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 81.18Å2; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 65.315 cm3; (13)Molar Volume: 185.753 cm3; (14)Polarizability: 25.893x10-24cm3; (15)Surface Tension: 55.647 dyne/cm; (16)Flash Point: 160.268 °C; (17)Enthalpy of Vaporization: 58.504 kJ/mol; (18)Boiling Point: 341.391 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C#N)SC(=S)c1ccccc1
(2)InChI: InChI=1/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3
(3)InChIKey: IDSLBLWCPSAZBL-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C11H11NS2/c1-11(2,8-12)14-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3
(5)Std. InChIKey: IDSLBLWCPSAZBL-UHFFFAOYSA-N