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122610-88-2 | 1,2,4-Triazine-3(2H)-thione, tetrahydro-1-phenyl-
CAS No: 122610-88-2 Catalog No: AG0017JJ MDL No:
Product Description
Catalog Number:
AG0017JJ
Chemical Name:
1,2,4-Triazine-3(2H)-thione, tetrahydro-1-phenyl-
CAS Number:
122610-88-2
Molecular Formula:
C9H11N3S
Molecular Weight:
193.2687
IUPAC Name:
1-phenyl-1,2,4-triazinane-3-thione
InChI:
InChI=1S/C9H11N3S/c13-9-10-6-7-12(11-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,13)
InChI Key:
ZKISIFZRLGMBKW-UHFFFAOYSA-N
SMILES:
S=C1NCCN(N1)c1ccccc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.268g/mol
Monoisotopic Mass:
193.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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