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379241-58-4 | 5-(4-Bromophenyl)thieno[2,3-d]pyrimidine-4-thiol
CAS No: 379241-58-4 Catalog No: AG01FMRX MDL No:MFCD03001384
Product Description
Catalog Number:
AG01FMRX
Chemical Name:
5-(4-Bromophenyl)thieno[2,3-d]pyrimidine-4-thiol
CAS Number:
379241-58-4
Molecular Formula:
C12H7BrN2S2
Molecular Weight:
323.2314
MDL Number:
MFCD03001384
IUPAC Name:
5-(4-bromophenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C12H7BrN2S2/c13-8-3-1-7(2-4-8)9-5-17-12-10(9)11(16)14-6-15-12/h1-6H,(H,14,15,16)
InChI Key:
YHAFHQXSBPFUKB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc2c1c(S)ncn2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.923g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.226g/mol
Monoisotopic Mass:
321.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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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