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CAS No.: | 81015-49-8 |
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Name: | 4-(2-THIAZOLYL)PHENOL |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H7NOS |
Molecular Weight: | 177.227 |
Synonyms: | 2-(4-Hydroxyphenyl)thiazole;4-(2-Thiazolyl)phenol;NSC 11890;4-(thiazol-2-yl)phenol; |
Density: | 1.305 g/cm3 |
Melting Point: | 162-165℃ |
Boiling Point: | 348.525 °C at 760 mmHg |
Flash Point: | 164.582 °C |
PSA: | 61.36000 |
LogP: | 2.51570 |
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The CAS register number of Phenol,4-(2-thiazolyl)- is 81015-49-8. It also can be called as 4-(thiazol-2-yl)phenol and the systematic name about this chemical is 4-(1,3-thiazol-2-yl)phenol. The molecular formula about this chemical is C9H7NOS and molecular weight is 177.22.
Physical properties about Phenol,4-(2-thiazolyl)- are: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 90; (5)ACD/BCF (pH 7.4): 85; (6)ACD/KOC (pH 5.5): 870; (7)ACD/KOC (pH 7.4): 819; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 61.36 Å2; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 49.202 cm3; (14)Molar Volume: 135.851 cm3; (15)Polarizability: 19.505x10-24cm3; (16)Surface Tension: 56.801 dyne/cm; (17)Enthalpy of Vaporization: 61.634 kJ/mol; (18)Boiling Point: 348.525 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)c2nccs2
(2)InChI: InChI=1/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
(3)InChIKey: PXNRJZLHXKIISI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H7NOS/c11-8-3-1-7(2-4-8)9-10-5-6-12-9/h1-6,11H
(5)Std. InChIKey: PXNRJZLHXKIISI-UHFFFAOYSA-N