Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Carbamodithioic acid,ethyl ester |
EINECS | N/A |
CAS No. | 625-61-6 | Density | 1.203 g/cm3 |
PSA | 83.41000 | LogP | 1.68340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3H7NS2 | Boiling Point | 199.2 °C at 760 mmHg |
Molecular Weight | 121.227 | Flash Point | 74.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, dithio-, ethyl ester (6CI,8CI);Ethyl carbamodithioate;Ethyldithiocarbamate;NSC 25948; |
Article Data | 6 |
The Carbamodithioic acid,ethyl ester, with the CAS registry number 625-61-6, is also known as Ethyldithiocarbamate. This chemical's molecular formula is C3H7NS2 and molecular weight is 121.22. What's more, its IUPAC name is ethyl carbamodithioate.
Physical properties of Carbamodithioic acid,ethyl ester are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.05; (6)ACD/BCF (pH 7.4): 4.05; (7)ACD/KOC (pH 5.5): 94.69; (8)ACD/KOC (pH 7.4): 94.7; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.63 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 34.76 cm3; (15)Molar Volume: 100.6 cm3; (16)Polarizability: 13.78×10-24cm3; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.203 g/cm3; (19)Flash Point: 74.3 °C; (20)Enthalpy of Vaporization: 43.54 kJ/mol; (21)Boiling Point: 199.2 °C at 760 mmHg; (22)Vapour Pressure: 0.346 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCSC(=S)N
(2)InChI: InChI=1S/C3H7NS2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
(3)InChIKey: PBRXDWOPIKZYOJ-UHFFFAOYSA-N