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309976-36-1 | Thieno[2,3-d]pyrimidin-4(1H)-one, 2-(methylthio)-
CAS No: 309976-36-1 Catalog No: AG0031VQ MDL No:MFCD03011935
Product Description
Catalog Number:
AG0031VQ
Chemical Name:
Thieno[2,3-d]pyrimidin-4(1H)-one, 2-(methylthio)-
CAS Number:
309976-36-1
Molecular Formula:
C7H6N2OS2
Molecular Weight:
198.2653
MDL Number:
MFCD03011935
IUPAC Name:
2-methylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C7H6N2OS2/c1-11-7-8-5(10)4-2-3-12-6(4)9-7/h2-3H,1H3,(H,8,9,10)
InChI Key:
JPLWQKCXBSLMLB-UHFFFAOYSA-N
SMILES:
CSc1nc(=O)c2c([nH]1)scc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.258g/mol
Monoisotopic Mass:
197.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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