2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one supplier

Name
2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
EINECS
CAS No. 568577-81-1
Density 1.6 g/cm³
Solubility
Melting Point
Formula C₈H₇ClN₂OS
Boiling Point
Molecular Weight 214.67
Flash Point
Transport Information
Appearance
Safety 36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols
Synonyms 2-(CHLOROMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE;2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one ,97%;2-(chloroMethyl)-5-Methyl-3H-thieno[2,3-d]pyriMidin-4-one
PSA 73.99000
LogP 2.03180

2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one Specification

The 2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one has CAS registry number 568577-81-1. This chemical's molecular formula is C₈H₇ClN₂OS and molecular weight is 214.67. What's more, its systematic name is 2-(chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one.

Physical properties of 2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3h)-one are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.87; (6)ACD/BCF (pH 7.4): 3.87; (7)ACD/KOC (pH 5.5): 91.73; (8)ACD/KOC (pH 7.4): 91.64; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 60.91 Å²; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 53.49 cm³; (15)Molar Volume: 133.9 cm³; (16)Polarizability: 21.2×10^-24cm³; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.6 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC\2=N\c1scc(c1C(=O)N/2)C
(2)Std. InChI: InChI=1S/C8H7ClN2OS/c1-4-3-13-8-6(4)7(12)10-5(2-9)11-8/h3H,2H2,1H3,(H,10,11,12)
(3)Std. InChIKey: NPCDJJHBOSYDKS-UHFFFAOYSA-N

Product Name

2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one

2-(Chloromethyl)-5-methylthieno[2,3-d]pyrimidin-4(3H)-one Specification

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