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144-54-7

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Basic Information
CAS No.: 144-54-7
Name: methyldithiocarbamic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 144-54-7 (methyldithiocarbamic acid)
Formula: C2H5NS2
Molecular Weight: 107.2
Synonyms: Carbamicacid, methyldithio- (8CI);Carbamodithioic acid, methyl- (9CI);Metam;Metham;Methyldithiocarbamic acid;N-Methyldithiocarbamic acid;Zuvapin;
EINECS: 205-632-2
Density: 1.199 g/cm3
Melting Point: 163-166 °C
Boiling Point: 120.3 °C at 760 mmHg
Flash Point: 26.6 °C
PSA: 82.92000
LogP: 0.81140
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Specification

The Carbamodithioic acid,N-methyl-, also known as Carbathione, is the organic compound with the formula C2H5NS2. Its EINECS registry number is 205-632-2. With the CAS registry number 144-54-7, its IUPAC name is methylcarbamodithioic acid.

Physical properties of Carbamodithioic acid,N-methyl-: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): -1.77; (3)ACD/LogD (pH 7.4): -2.89; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 30.09 cm3; (12)Molar Volume: 89.4 cm3; (13)Surface Tension: 50.2 dyne/cm; (14)Density: 1.199 g/cm3; (15)Flash Point: 26.6 °C; (16)Enthalpy of Vaporization: 35.84 kJ/mol; (17)Boiling Point: 120.3 °C at 760 mmHg; (18)Vapour Pressure: 15.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C2H5NS2/c1-3-2(4)5/h1H3,(H2,3,4,5)
(2)InChIKey: HYVVJDQGXFXBRZ-UHFFFAOYSA-N
(3)Canonical SMILES : CNC(=S)S