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176530-46-4 | Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(methylthio)-
CAS No: 176530-46-4 Catalog No: AG0024R1 MDL No:
Product Description
Catalog Number:
AG0024R1
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 2-(methylthio)-
CAS Number:
176530-46-4
Molecular Formula:
C7H6N2OS2
Molecular Weight:
198.2653
IUPAC Name:
2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C7H6N2OS2/c1-11-7-8-4-2-3-12-5(4)6(10)9-7/h2-3H,1H3,(H,8,9,10)
InChI Key:
OSEVYTJMMHAQGG-UHFFFAOYSA-N
SMILES:
CSc1nc2ccsc2c(=O)[nH]1
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
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