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149755-35-1 | 1,2,3,4-Thiatriazolium, 5-(methylphenylamino)-3-phenyl-, iodide (1:1)
CAS No: 149755-35-1 Catalog No: AG001LZU MDL No:
Product Description
Catalog Number:
AG001LZU
Chemical Name:
1,2,3,4-Thiatriazolium, 5-(methylphenylamino)-3-phenyl-, iodide (1:1)
CAS Number:
149755-35-1
Molecular Formula:
C14H15IN4S
Molecular Weight:
398.2652
IUPAC Name:
N-methyl-N,3-diphenyl-2H-thiatriazol-2-ium-5-amine;iodide
InChI:
InChI=1S/C14H14N4S.HI/c1-17(12-8-4-2-5-9-12)14-15-18(16-19-14)13-10-6-3-7-11-13;/h2-11,16H,1H3;1H
InChI Key:
XVWUHWGLNAHEMO-UHFFFAOYSA-N
SMILES:
CN(C1=NN([NH2+]S1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.006g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.266g/mol
Monoisotopic Mass:
398.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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