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88743-07-1 | 1,3,4-Thiadiazol-2-amine, 5-[[(4-methylphenyl)sulfonyl]methyl]-
CAS No: 88743-07-1 Catalog No: AG004CP0 MDL No:
Product Description
Catalog Number:
AG004CP0
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-[[(4-methylphenyl)sulfonyl]methyl]-
CAS Number:
88743-07-1
Molecular Formula:
C10H11N3O2S2
Molecular Weight:
269.3432
IUPAC Name:
5-[(4-methylphenyl)sulfonylmethyl]-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H11N3O2S2/c1-7-2-4-8(5-3-7)17(14,15)6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChI Key:
MXVAOMITAXHKLP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Cc1nnc(s1)N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.337g/mol
Monoisotopic Mass:
269.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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