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1450-85-7 | 2(1H)-Pyrimidinethione
CAS No: 1450-85-7 Catalog No: AG001KG7 MDL No:MFCD00006073
Product Description
Catalog Number:
AG001KG7
Chemical Name:
2(1H)-Pyrimidinethione
CAS Number:
1450-85-7
Molecular Formula:
C4H4N2S
Molecular Weight:
112.1530
MDL Number:
MFCD00006073
IUPAC Name:
1H-pyrimidine-2-thione
InChI:
InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
InChI Key:
HBCQSNAFLVXVAY-UHFFFAOYSA-N
SMILES:
S=c1nccc[nH]1
EC Number:
215-917-3
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.01g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.15g/mol
Monoisotopic Mass:
112.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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