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| CAS No.: | 13331-31-2 |
|---|---|
| Name: | benzyl hydrazinecarbodithioate |
| Molecular Structure: | |
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| Formula: | C8H10N2S2 |
| Molecular Weight: | 198.313 |
| Synonyms: | Carbazicacid, dithio-, benzyl ester (6CI,7CI,8CI);Benzyl dithiocarbazate;Benzylhydrazinecarbodithioate;Dithiocarbazic acid benzyl ester;Hydrazinecarbodithioic acid benzyl ester;NSC 244036;S-Benzyl dithiocarbazate; |
| Density: | 1.29 g/cm3 |
| Boiling Point: | 334.3 °C at 760 mmHg |
| Flash Point: | 156 °C |
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Specification
The CAS registry number of Hydrazinecarbodithioicacid, phenylmethyl ester is 6415-12-9. This chemical's molecular formula is C8H10N2S2 and molecular weight is 198.3084. What's more, both its IUPAC name and systematic name are the same which is Benzyl N-aminocarbamodithioate.
Physical properties about Hydrazinecarbodithioicacid, phenylmethyl ester are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 26.14; (6)ACD/BCF (pH 7.4): 24.73; (7)ACD/KOC (pH 5.5): 359.76; (8)ACD/KOC (pH 7.4): 340.37; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 63.87 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 58.21 cm3; (15)Molar Volume: 153.7 cm3; (16)Polarizability: 23.07×10-24 cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 156 °C; (20)Enthalpy of Vaporization: 57.72 kJ/mol; (21)Boiling Point: 334.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000129 mmHg at 25 °C.
Use of Hydrazinecarbodithioicacid, phenylmethyl ester: it is used to produce other chemicals. For example, it is used to produce Furfurylidene-dithiocarbazinic acid benzyl ester. The reaction occurs with reagent Ethanol and other condition of heating for 5 minutes. The yield is 57 %.
You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SCc1ccccc1)NN
(2)InChI: InChI=1/C8H10N2S2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
(3)InChIKey: XDAPOZNYUAPWCC-UHFFFAOYAV