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305376-86-7 | 4-[(5Z)-4-OXO-5-(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-2-THIOXO-1,3-THIAZ+
CAS No: 305376-86-7 Catalog No: AG01C6F2 MDL No:MFCD00572350
Product Description
Catalog Number:
AG01C6F2
Chemical Name:
4-[(5Z)-4-OXO-5-(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)-2-THIOXO-1,3-THIAZ+
CAS Number:
305376-86-7
Molecular Formula:
C18H10N2O4S2
Molecular Weight:
382.4130
MDL Number:
MFCD00572350
IUPAC Name:
4-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
InChI:
InChI=1S/C18H10N2O4S2/c21-15-13(11-3-1-2-4-12(11)19-15)14-16(22)20(18(25)26-14)10-7-5-9(6-8-10)17(23)24/h1-8,22H,(H,23,24)
InChI Key:
XFIUCUSXTBBRFY-UHFFFAOYSA-N
SMILES:
S=C1SC(=C2C(=O)Nc3c2cccc3)C(=O)N1c1ccc(cc1)C(=O)O
Properties
Complexity:
874
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.008g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.408g/mol
Monoisotopic Mass:
382.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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