Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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