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Home > Sulfanilamide > 88022-30-4
88022-30-4 | 2-Thiophenesulfonamide, N-1-naphthalenyl-, compd. with phenylmethylcarbamimidothioate (1:1)
CAS No: 88022-30-4 Catalog No: AG008DNN MDL No:
Product Description
Catalog Number:
AG008DNN
Chemical Name:
2-Thiophenesulfonamide, N-1-naphthalenyl-, compd. with phenylmethylcarbamimidothioate (1:1)
CAS Number:
88022-30-4
Molecular Formula:
C22H21N3O2S3
Molecular Weight:
455.6160
IUPAC Name:
benzylthiourea;N-naphthalen-1-ylthiophene-2-sulfonamide
InChI:
InChI=1S/C14H11NO2S2.C8H10N2S/c16-19(17,14-9-4-10-18-14)15-13-8-3-6-11-5-1-2-7-12(11)13;9-8(11)10-6-7-4-2-1-3-5-7/h1-10,15H;1-5H,6H2,(H3,9,10,11)
InChI Key:
IIQUKOJNVDYFCS-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccs1)Nc1cccc2c1cccc2.SC(=N)NCc1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
455.609g/mol
Monoisotopic Mass:
455.08g/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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