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175277-26-6 | Pyrimidine, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-
CAS No: 175277-26-6 Catalog No: AG0020S5 MDL No:MFCD00126318
Product Description
Catalog Number:
AG0020S5
Chemical Name:
Pyrimidine, 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-
CAS Number:
175277-26-6
Molecular Formula:
C9H10N4S
Molecular Weight:
206.2675
MDL Number:
MFCD00126318
IUPAC Name:
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]pyrimidine
InChI:
InChI=1S/C9H10N4S/c1-6-8(7(2)13-12-6)14-9-10-4-3-5-11-9/h3-5H,1-2H3,(H,12,13)
InChI Key:
GBGOOSIJAQSWSU-UHFFFAOYSA-N
SMILES:
Cc1[nH]nc(c1Sc1ncccn1)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.267g/mol
Monoisotopic Mass:
206.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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