Hydrazinecarbothioamide,N-(4-methoxyphenyl)- supplier

Name
4-(4-METHOXYPHENYL)-3-THIOSEMICARBAZIDE
EINECS
CAS No. 40207-03-2
Article Data56
CAS DataBase
Density 1.311 g/cm³
Solubility
Melting Point 154-156 °C
Formula C₈H₁₁N₃OS
Boiling Point 330.1 °C at 760 mmHg
Molecular Weight 197.261
Flash Point 153.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Semicarbazide,4-(p-methoxyphenyl)-3-thio- (6CI,7CI);4-(4-Methoxyphenyl)-3-thiosemicarbazide;4-(4-Methoxyphenyl)thiosemicarbazide;4-(p-Methoxyphenyl)-3-thiosemicarbazide;4-(p-Methoxyphenyl)thiosemicarbazide;NSC 157324;
PSA 91.40000
LogP 2.01950

Hydrazinecarbothioamide,N-(4-methoxyphenyl)- Specification

The Hydrazinecarbothioamide,N-(4-methoxyphenyl)-, with the CAS registry number 40207-03-2, is also known as 4-(4-Methoxyphenyl)-3-thiosemicarbazide. This chemical's molecular formula is C₈H₁₁N₃OS and molecular weight is 197.26. What's more, its IUPAC name is 1-Amino-3-(4-methoxyphenyl)thiourea.

Physical properties about Hydrazinecarbothioamide,N-(4-methoxyphenyl)- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.76; (6)ACD/BCF (pH 7.4): 2.74; (7)ACD/KOC (pH 5.5): 71.9; (8)ACD/KOC (pH 7.4): 71.61; (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)Polarizability: 22.58×10^-24cm³; (17)Surface Tension: 64.6 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 57.26 kJ/mol; (21)Boiling Point: 330.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00017 mmHg at 25 °C.

Use of Hydrazinecarbothioamide,N-(4-methoxyphenyl)-: it is used to produce other chemicals. For example, it is used to produce 5-(4-Methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione. The reaction occurs with solvent Dimethylformamide and other condition of heating for 1.5 hours. The yield is 68 %.

Hydrazinecarbothioamide,N-(4-methoxyphenyl)- is used to produce 5-(4-Methoxy-anilino)-3H-[1,3,4]thiadiazole-2-thione

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccc(OC)cc1)NN
(2)InChI: InChI=1/C8H11N3OS/c1-12-7-4-2-6(3-5-7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)
(3)InChIKey: XFTUQILJEQYQHK-UHFFFAOYAD

Product Name

4-(4-METHOXYPHENYL)-3-THIOSEMICARBAZIDE

Hydrazinecarbothioamide,N-(4-methoxyphenyl)- Specification

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