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727-34-4 | N-[4-[(AMINO-METHYLSULFANYL-METHYLIDENE)AMINO]SULFONYLPHENYL]ACETAMIDE
CAS No: 727-34-4 Catalog No: AG005FHS MDL No:
Product Description
Catalog Number:
AG005FHS
Chemical Name:
N-[4-[(AMINO-METHYLSULFANYL-METHYLIDENE)AMINO]SULFONYLPHENYL]ACETAMIDE
CAS Number:
727-34-4
Molecular Formula:
C10H13N3O3S2
Molecular Weight:
287.3585
IUPAC Name:
methyl N'-(4-acetamidophenyl)sulfonylcarbamimidothioate
InChI:
InChI=1S/C10H13N3O3S2/c1-7(14)12-8-3-5-9(6-4-8)18(15,16)13-10(11)17-2/h3-6H,1-2H3,(H2,11,13)(H,12,14)
InChI Key:
HSEJCIABIJLRQU-UHFFFAOYSA-N
SMILES:
CSC(=NS(=O)(=O)c1ccc(cc1)NC(=O)C)N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.352g/mol
Monoisotopic Mass:
287.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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