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307512-34-1 | Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-methylphenyl)-
CAS No: 307512-34-1 Catalog No: AG00315Q MDL No:MFCD04971692
Product Description
Catalog Number:
AG00315Q
Chemical Name:
Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-methylphenyl)-
CAS Number:
307512-34-1
Molecular Formula:
C13H10N2S2
Molecular Weight:
258.3619
MDL Number:
MFCD04971692
IUPAC Name:
5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
InChI:
InChI=1S/C13H10N2S2/c1-8-2-4-9(5-3-8)10-6-17-13-11(10)12(16)14-7-15-13/h2-7H,1H3,(H,14,15,16)
InChI Key:
HHXOKTMWDMZDKB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1csc2c1c(=S)[nH]cn2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.357g/mol
Monoisotopic Mass:
258.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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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