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21048-05-5

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Basic Information
CAS No.: 21048-05-5
Name: Thiobenzoic acid 1-methylhydrazide
Article Data: 14
Molecular Structure:
Molecular Structure of 21048-05-5 (Thiobenzoic acid 1-methylhydrazide)
Formula: C8H10N2S
Molecular Weight: 166.247
Synonyms: Thiobenzoic acid 1-methylhydrazide
Density: 1.189g/cm3
Melting Point: 89-91°C
Boiling Point: 267.1 °C at 760 mmHg
Flash Point: 115.3 °C
PSA: 61.35000
LogP: 1.86790
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Specification

The N-Methyl-N-thiobenzoylhydrazine, with CAS registry number 21048-05-5, has the systematic name of N-methylbenzenecarbothiohydrazide. Besides this, it is also called Thiobenzoic acid 1-methylhydrazide. And the chemical formula of this chemical is C8H10N2S.

Physical properties of N-Methyl-N-thiobenzoylhydrazine: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.86; (6)ACD/BCF (pH 7.4): 3.86; (7)ACD/KOC (pH 5.5): 91.55; (8)ACD/KOC (pH 7.4): 91.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.35 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 50.79 cm3; (15)Molar Volume: 139.7 cm3; (16)Polarizability: 20.13×10-24cm3; (17)Surface Tension: 59.8 dyne/cm; (18)Enthalpy of Vaporization: 50.51 kJ/mol; (19)Vapour Pressure: 0.00831 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N(C)N)c1ccccc1
(2)InChI: InChI=1/C8H10N2S/c1-10(9)8(11)7-5-3-2-4-6-7/h2-6H,9H2,1H3
(3)InChIKey: JJZFQYXZSXBTEC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H10N2S/c1-10(9)8(11)7-5-3-2-4-6-7/h2-6H,9H2,1H3
(5)Std. InChIKey: JJZFQYXZSXBTEC-UHFFFAOYSA-N