Phenol,4-(2-amino-4-thiazolyl)- supplier

Name
4-(2-AMINO-THIAZOL-4-YL)-PHENOL
EINECS
CAS No. 57634-55-6
Article Data37
CAS DataBase
Density 1.391 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂OS
Boiling Point 417.8 °C at 760 mmHg
Molecular Weight 192.241
Flash Point 206.5 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Phenol,p-(2-amino-4-thiazolyl)- (6CI);2-Amino-4-(4-hydroxyphenyl)thiazole;4-(2-Amino-4-thiazolyl)phenol;NSC 405294;
PSA 87.38000
LogP 2.67910

Phenol,4-(2-amino-4-thiazolyl)- Specification

The Phenol,4-(2-amino-4-thiazolyl)-, with the CAS registry number 57634-55-6, is also known as 2-Amino-4-(4-hydroxyphenyl)thiazole. This chemical's molecular formula is C₉H₈N₂OS and molecular weight is 192.24. What's more, its systematic name is 4-(2-Amino-1,3-thiazol-4-yl)phenol.

Physical properties of Phenol,4-(2-amino-4-thiazolyl)- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 3.02; (6)ACD/BCF (pH 7.4): 5.83; (7)ACD/KOC (pH 5.5): 62.12; (8)ACD/KOC (pH 7.4): 119.85; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.6 Å²; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 53.43 cm³; (15)Molar Volume: 138.1 cm³; (16)Polarizability: 21.18×10^-24cm³; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.391 g/cm³; (19)Flash Point: 206.5 °C; (20)Enthalpy of Vaporization: 69.73 kJ/mol; (21)Boiling Point: 417.8 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CSC(=N2)N)O
(2)InChI: InChI=1S/C9H8N2OS/c10-9-11-8(5-13-9)6-1-3-7(12)4-2-6/h1-5,12H,(H2,10,11)
(3)InChIKey: QGSJYYIRAFRPIT-UHFFFAOYSA-N

Product Name

4-(2-AMINO-THIAZOL-4-YL)-PHENOL

Phenol,4-(2-amino-4-thiazolyl)- Specification

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