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131171-33-0 | 1,2,3,5-Thiatriazole, 2,5-dihydro-2,4-diphenyl-, 1-oxide
CAS No: 131171-33-0 Catalog No: AG000VNN MDL No:
Product Description
Catalog Number:
AG000VNN
Chemical Name:
1,2,3,5-Thiatriazole, 2,5-dihydro-2,4-diphenyl-, 1-oxide
CAS Number:
131171-33-0
Molecular Formula:
C13H11N3OS
Molecular Weight:
257.3109
IUPAC Name:
2,4-diphenyl-3H-1,2,3,5-thiatriazole 1-oxide
InChI:
InChI=1S/C13H11N3OS/c17-18-15-13(11-7-3-1-4-8-11)14-16(18)12-9-5-2-6-10-12/h1-10H,(H,14,15)
InChI Key:
ZMDSVIAKYIIQFN-UHFFFAOYSA-N
SMILES:
O=s1[nH]c(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.311g/mol
Monoisotopic Mass:
257.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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