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Home > Sulfanilamide > 88022-19-9
88022-19-9 | 2-Thiophenesulfonamide, N-phenyl-, compd. with phenylmethylcarbamimidothioate (1:1)
CAS No: 88022-19-9 Catalog No: AG004NO7 MDL No:
Product Description
Catalog Number:
AG004NO7
Chemical Name:
2-Thiophenesulfonamide, N-phenyl-, compd. with phenylmethylcarbamimidothioate (1:1)
CAS Number:
88022-19-9
Molecular Formula:
C18H19N3O2S3
Molecular Weight:
405.5574
IUPAC Name:
benzylthiourea;N-phenylthiophene-2-sulfonamide
InChI:
InChI=1S/C10H9NO2S2.C8H10N2S/c12-15(13,10-7-4-8-14-10)11-9-5-2-1-3-6-9;9-8(11)10-6-7-4-2-1-3-5-7/h1-8,11H;1-5H,6H2,(H3,9,10,11)
InChI Key:
HOBPYPCBBVOBPF-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccs1)Nc1ccccc1.SC(=N)NCc1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.064g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.549g/mol
Monoisotopic Mass:
405.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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