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4-Chloro-2-methylthieno[3,2-d]pyrimidine

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Name

4-Chloro-2-methylthieno[3,2-d]pyrimidine

EINECS 200-589-5
CAS No. 319442-16-5 Density 1.446 g/cm3
PSA 54.02000 LogP 2.65310
Solubility N/A Melting Point N/A
Formula C7H5ClN2S Boiling Point 208℃
Molecular Weight 184.649 Flash Point 80℃
Transport Information N/A Appearance N/A
Safety 26-45 Risk Codes 25-36
Molecular Structure Molecular Structure of 319442-16-5 (Thieno[3,2-d]pyrimidine, 4-chloro-2-methyl-) Hazard Symbols T
Synonyms

SC3681;2-Methyl-4-chlor-thieno<3,2-d>pyrimidin;4-Chloro-2-methylthieno[3,2-d]pyrimidine;

Article Data 11

4-Chloro-2-methylthieno[3,2-d]pyrimidine Specification

The CAS register number of Thieno[3,2-d]pyrimidine,4-chloro-2-methyl- is 319442-16-5. The systematic name about this chemical is 4-chloro-2-methylthieno[3,2-d]pyrimidine. The molecular formula about this chemical is C7H5ClN2S and the molecular weight is 184.646.

Physical properties about Thieno[3,2-d]pyrimidine,4-chloro-2-methyl- are: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 76; (5)ACD/BCF (pH 7.4): 76; (6)ACD/KOC (pH 5.5): 770; (7)ACD/KOC (pH 7.4): 770; (8)#H bond acceptors: 2; (9)Polar Surface Area: 54.02Å2; (10)Index of Refraction: 1.682; (11)Molar Refractivity: 48.382 cm3; (12)Molar Volume: 127.702 cm3; (13)Polarizability: 19.18x10-24cm3; (14)Surface Tension: 60.447 dyne/cm .

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(C)nc2ccsc12
(2)InChI: InChI=1/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
(3)InChIKey: OSAOHHSXWALXET-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
(5)Std. InChIKey: OSAOHHSXWALXET-UHFFFAOYSA-N

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