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190579-95-4 | 2(1H)-Pyrimidinethione, 6-(2-furanyl)-
CAS No: 190579-95-4 Catalog No: AG002EMW MDL No:MFCD01940448
Product Description
Catalog Number:
AG002EMW
Chemical Name:
2(1H)-Pyrimidinethione, 6-(2-furanyl)-
CAS Number:
190579-95-4
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD01940448
IUPAC Name:
6-(furan-2-yl)-1H-pyrimidine-2-thione
InChI:
InChI=1S/C8H6N2OS/c12-8-9-4-3-6(10-8)7-2-1-5-11-7/h1-5H,(H,9,10,12)
InChI Key:
YGXHXJRIPUVEGH-UHFFFAOYSA-N
SMILES:
S=c1nccc([nH]1)c1ccco1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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