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802046-04-4 | Pyrimidine, 1,4,5,6-tetrahydro-2-[[(1-methylimidazol-2-yl)thio]methyl]- (8CI)
CAS No: 802046-04-4 Catalog No: AG00GLBL MDL No:
Product Description
Catalog Number:
AG00GLBL
Chemical Name:
Pyrimidine, 1,4,5,6-tetrahydro-2-[[(1-methylimidazol-2-yl)thio]methyl]- (8CI)
CAS Number:
802046-04-4
IUPAC Name:
2-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,4,5,6-tetrahydropyrimidine
InChI:
InChI=1S/C9H14N4S/c1-13-6-5-12-9(13)14-7-8-10-3-2-4-11-8/h5-6H,2-4,7H2,1H3,(H,10,11)
InChI Key:
AWGQSJZVFHGLEY-UHFFFAOYSA-N
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.299g/mol
Monoisotopic Mass:
210.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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