-
Name
4-(2-METHOXY-5-METHYLPHENYL)-3-THIOSEMICARBAZIDE
- EINECS
- CAS No. 71058-34-9
- Article Data4
- CAS DataBase
- Density 1.267 g/cm3
- Solubility
- Melting Point 166-168°C
- Formula C9H13N3OS
- Boiling Point 339.6 °C at 760 mmHg
- Molecular Weight 211.288
- Flash Point 159.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 4-(2-METHOXY-5-METHYLPHENYL)-3-THIOSEMICARBAZIDE;4-(2-Methoxy-5-methylphenyl)-3-thiosemicarbezide
- PSA 91.40000
- LogP 2.32790
Hydrazinecarbothioamide, N-(2-methoxy-5-methylphenyl)- Specification
This chemical is called Hydrazinecarbothioamide, N-(2-methoxy-5-methylphenyl)-, and its systematic name is N-(2-methoxy-5-methylphenyl)hydrazinecarbothioamide. With the molecular formula of C9H13N3OS, its molecular weight is 211.28. The CAS registry number of this chemical is 71058-34-9.
Other characteristics of the Hydrazinecarbothioamide, N-(2-methoxy-5-methylphenyl)- can be summarised as followings: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.63; (6)ACD/BCF (pH 7.4): 5.6; (7)ACD/KOC (pH 5.5): 119.88; (8)ACD/KOC (pH 7.4): 119.36; (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: 1.663; (14)Molar Refractivity: 61.78 cm3; (15)Molar Volume: 166.6 cm3; (16)Polarizability: 24.49×10-24cm3; (17)Surface Tension: 60.1 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 159.2 °C; (20)Enthalpy of Vaporization: 58.31 kJ/mol; (21)Boiling Point: 339.6 °C at 760 mmHg; (22)Vapour Pressure: 9.07E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(Nc1cc(ccc1OC)C)NN
2.InChI: InChI=1/C9H13N3OS/c1-6-3-4-8(13-2)7(5-6)11-9(14)12-10/h3-5H,10H2,1-2H3,(H2,11,12,14)
3.InChIKey: DOGCFONJOWBXML-UHFFFAOYAU
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