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1438-21-7 | Benzoic acid,2-[[(4-oxo-2-thioxo-3-thiazolidinyl)imino]methyl]-
CAS No: 1438-21-7 Catalog No: AG006TUU MDL No:
Product Description
Catalog Number:
AG006TUU
Chemical Name:
Benzoic acid,2-[[(4-oxo-2-thioxo-3-thiazolidinyl)imino]methyl]-
CAS Number:
1438-21-7
Molecular Formula:
C11H8N2O3S2
Molecular Weight:
280.3228
IUPAC Name:
2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)iminomethyl]benzoic acid
InChI:
InChI=1S/C11H8N2O3S2/c14-9-6-18-11(17)13(9)12-5-7-3-1-2-4-8(7)10(15)16/h1-5H,6H2,(H,15,16)
InChI Key:
CAIWOVFQXBSJKI-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1N=Cc1ccccc1C(=O)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.316g/mol
Monoisotopic Mass:
279.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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