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Home > Other Building Blocks > 86425-08-3
86425-08-3 | 2(1H)-Pyrimidinethione, 3,4-dihydro-
CAS No: 86425-08-3 Catalog No: AG004NLS MDL No:
Product Description
Catalog Number:
AG004NLS
Chemical Name:
2(1H)-Pyrimidinethione, 3,4-dihydro-
CAS Number:
86425-08-3
Molecular Formula:
C4H6N2S
Molecular Weight:
114.1688
IUPAC Name:
3,4-dihydro-1H-pyrimidine-2-thione
InChI:
InChI=1S/C4H6N2S/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H2,5,6,7)
InChI Key:
MBOCEPWYDNXEKN-UHFFFAOYSA-N
SMILES:
S=C1NCC=CN1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.025g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.166g/mol
Monoisotopic Mass:
114.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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