-
Name
4-BENZHYDRYL-3-THIOSEMICARBAZIDE
- EINECS
- CAS No. 21198-25-4
- Article Data4
- CAS DataBase
- Density 1.211 g/cm3
- Solubility
- Melting Point 148-150 °C
- Formula C14H15N3S
- Boiling Point 421.2 °C at 760 mmHg
- Molecular Weight 257.359
- Flash Point 208.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Semicarbazide,4-(diphenylmethyl)-3-thio- (6CI,8CI);4-(Benzhydryl)thiosemicarbazide;
- PSA 82.17000
- LogP 3.59590
Hydrazinecarbothioamide,N-(diphenylmethyl)- Specification
This chemical is called Hydrazinecarbothioamide,N-(diphenylmethyl)-, and its systematic name is N-(diphenylmethyl)hydrazinecarbothioamide. With the molecular formula of C14H15N3S, its molecular weight is 257.35. The CAS registry number of the chemical is 21198-25-4.
Other characteristics of Hydrazinecarbothioamide,N-(diphenylmethyl)- can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.84; (6)ACD/BCF (pH 7.4): 64.62; (7)ACD/KOC (pH 5.5): 689.44; (8)ACD/KOC (pH 7.4): 687.11; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 41.81 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 78.21 cm3; (15)Molar Volume: 212.3 cm3; (16)Polarizability: 31×10-24cm3; (17)Surface Tension: 58.8 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 208.5 °C; (20)Enthalpy of Vaporization: 67.52 kJ/mol; (21)Boiling Point: 421.2 °C at 760 mmHg; (22)Vapour Pressure: 2.66E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C(NC(c1ccccc1)c2ccccc2)NN
2.InChI: InChI=1/C14H15N3S/c15-17-14(18)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H2,16,17,18)
3.InChIKey: BPZRVDYOCCVVPL-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C14H15N3S/c15-17-14(18)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H2,16,17,18)
5.Std. InChIKey: BPZRVDYOCCVVPL-UHFFFAOYSA-N
Related Products
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- Hydrazinecarbothioamide, N-(3-chloro-4-methylphenyl)-
- Hydrazinecarbothioamide, N-(4-bromophenyl)-
- Hydrazinecarbothioamide, N-(4-chlorophenyl)-
- Hydrazinecarbothioamide, N,2-diphenyl-
- Hydrazinecarbothioamide, N,N-dimethyl-
- Hydrazinecarbothioamide, N-methyl-N-phenyl-
- Hydrazinecarbothioamide, N-pentyl-
- Hydrazinecarbothioamide,2-(2,4,6-trichlorophenyl)-
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