1,2,3-Thiadiazole-5-methanol, 4-phenyl- supplier

Name
(4-PHENYL-1,2,3-THIADIAZOL-5-YL)METHANOL
EINECS
CAS No. 423768-62-1
Density 1.33 g/cm³
Solubility
Melting Point 113℃
Formula C₉H₈N₂OS
Boiling Point 392 °C at 760 mmHg
Molecular Weight 192.24
Flash Point 190.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (4-Phenyl-1, 2, 3-thiadiazol-5-yl)methanol;
PSA 74.25000
LogP 1.69740

1,2,3-Thiadiazole-5-methanol, 4-phenyl- Specification

The 1, 2, 3-Thiadiazole-5-methanol, 4-phenyl- has CAS registry number 423768-62-1. This chemical's molecular formula is C₉H₈N₂OS and molecular weight is 192.24. What's more, its systematic name is called (4-Phenyl-1, 2, 3-thiadiazol-5-yl)methanol.

Physical properties about 1, 2, 3-Thiadiazole-5-methanol, 4-phenyl- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.4; (6)ACD/BCF (pH 7.4): 6.4; (7)ACD/KOC (pH 5.5): 131.38; (8)ACD/KOC (pH 7.4): 131.38; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.25 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 51.86 cm³; (15)Molar Volume: 144.4 cm³; (16)Surface Tension: 62.1 dyne/cm; (17)Density: 1.33 g/cm³; (18)Flash Point: 190.9 °C; (19)Enthalpy of Vaporization: 67.68 kJ/mol; (20)Boiling Point: 392 °C at 760 mmHg; (21)Vapour Pressure: 7.56E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nsc(c1c2ccccc2)CO
(2) InChI: InChI=1/C9H8N2OS/c12-6-8-9(10-11-13-8)7-4-2-1-3-5-7/h1-5,12H,6H2
(3) InChIKey: CCCGCSZUTJHLFD-UHFFFAOYAE

Product Name

(4-PHENYL-1,2,3-THIADIAZOL-5-YL)METHANOL

1,2,3-Thiadiazole-5-methanol, 4-phenyl- Specification

Related Products

Hot Products