4-phenylphthalazine-1-thiol supplier

Name
4-PHENYL-PHTHALAZINE-1-THIOL
EINECS
CAS No. 35392-60-0
Article Data4
CAS DataBase
Density 1.25g/cm³
Solubility
Melting Point 180-182 °C
Formula C₁₄H₁₀N₂S
Boiling Point 403.4 °C at 760 mmHg
Molecular Weight 238.313
Flash Point 197.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Mercapto-4-phenylphthalazine;4-Phenyl-1-phthalazinethiol;4-Phenylphthalazine-1(2H)-thione;
PSA 64.58000
LogP 3.58550

4-phenylphthalazine-1-thiol Specification

The CAS register number of 1(2H)-Phthalazinethione,4-phenyl- is 35392-60-0. It also can be called as 4-Phenyl-1-phthalazinethiol and the IUPAC name about this chemical is 4-phenyl-2H-phthalazine-1-thione. The molecular formula about this chemical is C₁₄H₁₀N₂S and the molecular weight is 238.06.

Physical properties about 1(2H)-Phthalazinethione,4-phenyl- are: (1)ACD/LogP: 3.07; (2)ACD/LogD (pH 5.5): 0.38; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.8; (7)ACD/KOC (pH 7.4): 2.62; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 47.69 Å²; (12)Index of Refraction: 1.69; (13)Molar Refractivity: 72.85 cm³; (14)Molar Volume: 190.5 cm³; (15)Polarizability: 28.88x10^-24cm³; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.25 g/cm³; (18)Flash Point: 197.8 °C; (19)Enthalpy of Vaporization: 65.47 kJ/mol; (20)Boiling Point: 403.4 °C at 760 mmHg; (21)Vapour Pressure: 1.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1c3ccccc3\C(=N/N1)c2ccccc2
(2)Std. InChI: InChI=1S/C14H10N2S/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-9H,(H,16,17)
(3)Std. InChIKey: BVCRPTIUWPVUQA-UHFFFAOYSA-N

Product Name

4-PHENYL-PHTHALAZINE-1-THIOL

4-phenylphthalazine-1-thiol Specification

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