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CAS No.: | 40520-03-4 |
---|---|
Name: | SARCOSINE-N-DITHIOCARBAMATE |
Molecular Structure: | |
Formula: | C4H7NO2S2 |
Molecular Weight: | 165.23 |
Synonyms: | N-(Dithiocarboxy)sarcosine;NSC 39023;Sarcosine dithiocarbamate; |
Density: | 1.43 g/cm3 |
Boiling Point: | 283.1 °C at 760 mmHg |
Flash Point: | 125 °C |
PSA: | 111.43000 |
LogP: | 0.21750 |
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The CAS register number of Glycine,N-(dithiocarboxy)-N-methyl- is 40520-03-4. It also can be called as Sarcosine dithiocarbamate and the IUPAC name about this chemical is 2-[dithiocarboxy(methyl)amino]acetic acid. The molecular formula about this chemical is C4H7NO2S2 and the molecular weight is 165.23. This chemical can protect against toxicity of alkylating agents.
Physical properties about Glycine,N-(dithiocarboxy)-N-methyl- are: (1)ACD/LogP: 0.38; (2)ACD/LogD (pH 5.5): -4.22; (3)ACD/LogD (pH 7.4): -4.37; (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: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 86.93 Å2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 41.05 cm3; (14)Molar Volume: 115.4 cm3; (15)Polarizability: 16.27x10-24cm3; (16)Surface Tension: 72.6 dyne/cm; (17)Flash Point: 125 °C; (18)Enthalpy of Vaporization: 57.44 kJ/mol; (19)Boiling Point: 283.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000841 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN(C(=S)S)C
(2)InChI: InChI=1/C4H7NO2S2/c1-5(4(8)9)2-3(6)7/h2H2,1H3,(H,6,7)(H,8,9)
(3)InChIKey: KEZYHIPQRGTUDU-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C4H7NO2S2/c1-5(4(8)9)2-3(6)7/h2H2,1H3,(H,6,7)(H,8,9)
(5)Std. InChIKey: KEZYHIPQRGTUDU-UHFFFAOYSA-N