-
Name
7-CHLOROMETHYL-THIAZOLO[3,2-A]PYRIMIDIN-5-ONE
- EINECS
- CAS No. 62773-09-5
- Article Data5
- CAS DataBase
- Density 1.6 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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)-;
- PSA 62.61000
- LogP 1.49480
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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