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141096-82-4 | Ethanesulfonic acid, 2-[[1-(2-thienyl)ethylidene]amino]-
CAS No: 141096-82-4 Catalog No: AG001FVU MDL No:
Product Description
Catalog Number:
AG001FVU
Chemical Name:
Ethanesulfonic acid, 2-[[1-(2-thienyl)ethylidene]amino]-
CAS Number:
141096-82-4
Molecular Formula:
C8H11NO3S2
Molecular Weight:
233.3078
IUPAC Name:
2-(1-thiophen-2-ylethylideneamino)ethanesulfonic acid
InChI:
InChI=1S/C8H11NO3S2/c1-7(8-3-2-5-13-8)9-4-6-14(10,11)12/h2-3,5H,4,6H2,1H3,(H,10,11,12)
InChI Key:
OZFYRLTYXUNGML-UHFFFAOYSA-N
SMILES:
CC(=NCCS(=O)(=O)O)c1cccs1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.3g/mol
Monoisotopic Mass:
233.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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