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139297-07-7 | Thieno[3,2-d]pyrimidin-4(3H)-one, 6,7-dihydro-2-(methylthio)-
CAS No: 139297-07-7 Catalog No: AG001AOO MDL No:MFCD00223579
Product Description
Catalog Number:
AG001AOO
Chemical Name:
Thieno[3,2-d]pyrimidin-4(3H)-one, 6,7-dihydro-2-(methylthio)-
CAS Number:
139297-07-7
Molecular Formula:
C7H8N2OS2
Molecular Weight:
200.2812
MDL Number:
MFCD00223579
IUPAC Name:
2-methylsulfanyl-6,7-dihydro-3H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C7H8N2OS2/c1-11-7-8-4-2-3-12-5(4)6(10)9-7/h2-3H2,1H3,(H,8,9,10)
InChI Key:
JDJSZEVADPIWKL-UHFFFAOYSA-N
SMILES:
CSc1nc2CCSc2c(=O)[nH]1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.274g/mol
Monoisotopic Mass:
200.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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