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7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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Name

7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

EINECS N/A
CAS No. 62773-09-5 Density 1.6 g/cm3
PSA 62.61000 LogP 1.49480
Solubility N/A Melting Point 133 °C(Solv: ethanol (64-17-5))
Formula C7H5ClN2OS Boiling Point 328.1 °C at 760 mmHg
Molecular Weight 200.649 Flash Point 152.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62773-09-5 (7-CHLOROMETHYL-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE) Hazard Symbols N/A
Synonyms

4-(chloromethyl)-7-thia-1,5-diazabicyclo[4.3.0]nona-3,5,8-trien-2-one;5H-thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-;

Article Data 5

7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one Specification

The CAS register number of 7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one is 62773-09-5. It also can be called as 5H-thiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)- and the systematic name about this chemical is 7-(chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one. The molecular formula about this chemical is C7H5ClN2OS and molecular weight is 200.64.

Physical properties about 7-(Chloromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one are: (1)ACD/LogP: -0.48; (2)ACD/LogD (pH 5.5): -0.48; (3)ACD/LogD (pH 7.4): -0.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.13; (7)ACD/KOC (pH 7.4): 13.13; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 57.97Å2; (11)Index of Refraction: 1.733; (12)Molar Refractivity: 49.97 cm3; (13)Molar Volume: 124.7 cm3; (14)Polarizability: 19.81x10-24cm3; (15)Surface Tension: 64 dyne/cm; (16)Enthalpy of Vaporization: 57.04 kJ/mol; (17)Boiling Point: 328.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000194 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1N2/C=C\S\C2=N\C(=C\1)CCl
(2)InChI: InChI=1/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2
(3)InChIKey: WANAHALOOUKFKI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H5ClN2OS/c8-4-5-3-6(11)10-1-2-12-7(10)9-5/h1-3H,4H2
(5)Std. InChIKey: WANAHALOOUKFKI-UHFFFAOYSA-N

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