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42135-73-9

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Basic Information
CAS No.: 42135-73-9
Name: N-(3-METHOXYPHENYL)HYDRAZINECARBOTHIOAMIDE
Article Data: 13
Molecular Structure:
Molecular Structure of 42135-73-9 (N-(3-METHOXYPHENYL)HYDRAZINECARBOTHIOAMIDE)
Formula: C8H11N3OS
Molecular Weight: 197.261
Synonyms: 4-(3-Methoxyphenyl)thiosemicarbazide;4-(m-Methoxyphenyl)-3-thiosemicarbazide;NSC 201981;
Density: 1.311 g/cm3
Boiling Point: 325.6 °C at 760 mmHg
Flash Point: 150.7 °C
PSA: 91.40000
LogP: 2.01950
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Specification

The Hydrazinecarbothioamide, N-(3-methoxyphenyl)-, with the CAS registry number of 42135-73-9, is also known as N-(3-Methoxyphenyl)hydrazinecarbothioamide. This chemical's molecular formula is C8H11N3OS and molecular weight is 197.2574. What's more, its IUPAC name is 1-Amino-3-(3-methoxyphenyl)thiourea.

Physical properties about Hydrazinecarbothioamide, N-(3-methoxyphenyl)- are: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.74; (6)ACD/BCF (pH 7.4): 4.72; (7)ACD/KOC (pH 5.5): 106.02; (8)ACD/KOC (pH 7.4): 105.52; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.04 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 56.96 cm3; (15)Molar Volume: 150.3 cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 150.7 °C; (19)Enthalpy of Vaporization: 56.77 kJ/mol; (20)Boiling Point: 325.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000228 mmHg at 25 °C.

Uses of Hydrazinecarbothioamide, N-(3-methoxyphenyl)-: it is used to produce other chemicals. For example, it is used to produce 1-(3-Methoxy-phenyl)-3-(2-methyl-4-oxo-4H-quinazolin-3-yl)-thiourea by heating. The reaction needs reagent Pyridine. The yield is about 77 %.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1cccc(OC)c1)NN
(2) InChI: InChI=1/C8H11N3OS/c1-12-7-4-2-3-6(5-7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)
(3) InChIKey: YIEIRPNECOGSTC-UHFFFAOYAB