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141096-81-3 | Benzenesulfonic acid, 2-[[1-(2-thienyl)ethylidene]amino]-
CAS No: 141096-81-3 Catalog No: AG001FVV MDL No:
Product Description
Catalog Number:
AG001FVV
Chemical Name:
Benzenesulfonic acid, 2-[[1-(2-thienyl)ethylidene]amino]-
CAS Number:
141096-81-3
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
IUPAC Name:
2-(1-thiophen-2-ylethylideneamino)benzenesulfonic acid
InChI:
InChI=1S/C12H11NO3S2/c1-9(11-6-4-8-17-11)13-10-5-2-3-7-12(10)18(14,15)16/h2-8H,1H3,(H,14,15,16)
InChI Key:
ANDNGTVQFIGLSA-UHFFFAOYSA-N
SMILES:
CC(=Nc1ccccc1S(=O)(=O)O)c1cccs1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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