Home Halogens Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)-

Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)-

CAS No.:
331761-46-7
Catalog Number:
AG007H5P
Molecular Formula:
C12H6Cl2N2S
Molecular Weight:
281.1604
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Product Description
Catalog Number:
AG007H5P
Chemical Name:
Thieno[2,3-d]pyrimidine,4-chloro-5-(4-chlorophenyl)-
CAS Number:
331761-46-7
Molecular Formula:
C12H6Cl2N2S
Molecular Weight:
281.1604
MDL Number:
MFCD01038375
IUPAC Name:
4-chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
InChI:
InChI=1S/C12H6Cl2N2S/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(14)15-6-16-12/h1-6H
InChI Key:
QDMQHIKVIOWCGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1csc2c1c(Cl)ncn2
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.963g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.154g/mol
Monoisotopic Mass:
279.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties