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27052-12-6

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Basic Information
CAS No.: 27052-12-6
Name: 2-(4-Methoxy-phenylamino)-thiazol-4-one
Molecular Structure:
Molecular Structure of 27052-12-6 (2-(4-Methoxy-phenylamino)-thiazol-4-one)
Formula: C10H10N2O2S
Molecular Weight: 222.26
Synonyms: 4-Thiazolidinone,2-[(p-methoxyphenyl)imino]- (6CI,8CI);4-Thiazolidinone,2-[(4-methoxyphenyl)imino]-;4(5H)-Thiazolone, 2-[(4-methoxyphenyl)amino]-;(2E)-2-[(4-Methoxyphenyl)imino]-1,3-thiazolidin-4-one;(2Z)-2-[(4-methoxyphenyl)imino]-1,3-thiazolidin-4-one;
EINECS:
Density: 1.36 g/cm3
Melting Point: 178.1-178.2 °C(Solv: ligroine (8032-32-4))
Boiling Point: 361.2 °C at 760 mmHg
Flash Point: 172.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 75.99000
LogP: 1.24510
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Specification

The 2-(4-Methoxy-phenylamino)-thiazol-4-one, with the CAS registry number 27052-12-6, is also known as 4(5H)-Thiazolone, 2-[(4-methoxyphenyl)amino]-. This chemical's molecular formula is C10H10N2O2S and molecular weight is 222.26. What's more, its systematic name is 2-[(4-methoxyphenyl)amino]-1,3-thiazol-4(5H)-one. 

Physical properties of 2-(4-Methoxy-phenylamino)-thiazol-4-one are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/BCF (pH 5.5): 4.21; (5)ACD/KOC (pH 5.5): 97.31; (6)ACD/KOC (pH 7.4): 97.32; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 67.2 Å2; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 59.5 cm3; (13)Molar Volume: 163.4 cm3; (14)Surface Tension: 51.2 dyne/cm; (15)Density: 1.36 g/cm3; (16)Flash Point: 172.3 °C; (17)Enthalpy of Vaporization: 60.7 kJ/mol; (18)Boiling Point: 361.2 °C at 760 mmHg; (19)Vapour Pressure: 2.1E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\N=C(/SC1)Nc2ccc(OC)cc2
(2)InChI: InChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)11-10-12-9(13)6-15-10/h2-5H,6H2,1H3,(H,11,12,13)
(3)InChIKey: CADDZOBCSQHROY-UHFFFAOYSA-N