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1159693-00-1 | 3-(4-Difluoromethylsulfanyl-phenyl)-6-phenyl-3,4-dihydro-1H-[1,3,5]triazine-2-thione
CAS No: 1159693-00-1 Catalog No: AG01F3H9 MDL No:
Product Description
Catalog Number:
AG01F3H9
Chemical Name:
3-(4-Difluoromethylsulfanyl-phenyl)-6-phenyl-3,4-dihydro-1H-[1,3,5]triazine-2-thione
CAS Number:
1159693-00-1
Molecular Formula:
C16H13F2N3S2
Molecular Weight:
349.4213
IUPAC Name:
3-[4-(difluoromethylsulfanyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione
InChI:
InChI=1S/C16H13F2N3S2/c17-15(18)23-13-8-6-12(7-9-13)21-10-19-14(20-16(21)22)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,19,20,22)
InChI Key:
NUARKUOGGKBGBQ-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)N1CN=C(NC1=S)c1ccccc1)F
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.052g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.418g/mol
Monoisotopic Mass:
349.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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