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318258-17-2 | 4-Trifluoromethyl-6,7dihydro-5H-cyclopenta-pyrimidine-2-thiol 4-trifluoromethyl-6,7-dihydro-5h-cyclopentapyrimidine-2-thiol 6,7-dihydro-2-mercapto-4-trifluoromethyl-5h-cyclopenta-[b]-pyrimidine
CAS No: 318258-17-2 Catalog No: AG01F2B9 MDL No:MFCD04973037
Product Description
Catalog Number:
AG01F2B9
Chemical Name:
4-Trifluoromethyl-6,7dihydro-5H-cyclopenta-pyrimidine-2-thiol
4-trifluoromethyl-6,7-dihydro-5h-cyclopentapyrimidine-2-thiol
6,7-dihydro-2-mercapto-4-trifluoromethyl-5h-cyclopenta-[b]-pyrimidine
CAS Number:
318258-17-2
Molecular Formula:
C8H7F3N2S
Molecular Weight:
220.2148
MDL Number:
MFCD04973037
IUPAC Name:
4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
InChI:
InChI=1S/C8H7F3N2S/c9-8(10,11)6-4-2-1-3-5(4)12-7(14)13-6/h1-3H2,(H,12,13,14)
InChI Key:
QPZKWIMLSJCINM-UHFFFAOYSA-N
SMILES:
Sc1nc2CCCc2c(n1)C(F)(F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.213g/mol
Monoisotopic Mass:
220.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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