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312946-33-1

312946-33-1 | Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(4-bromophenyl)-2,3-dihydro-2-thioxo-

CAS No: 312946-33-1 Catalog No: AG01F4NP MDL No:

Product Description

Catalog Number:
AG01F4NP
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 5-(4-bromophenyl)-2,3-dihydro-2-thioxo-
CAS Number:
312946-33-1
Molecular Formula:
C12H7BrN2OS2
Molecular Weight:
339.2308
IUPAC Name:
5-(4-bromophenyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H7BrN2OS2/c13-7-3-1-6(2-4-7)8-5-18-11-9(8)10(16)14-12(17)15-11/h1-5H,(H2,14,15,16,17)
InChI Key:
NTAJPZDBKREMIK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc2c1c(=O)[nH]c(=S)[nH]2

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.918g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
339.225g/mol
Monoisotopic Mass:
337.918g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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

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