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Home > Indoles and Oxindole > 306322-09-8
306322-09-8 | 3-[5-(1-METHYL-2-OXO-1,2-DIHYDRO-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-THIAZOLI+
CAS No: 306322-09-8 Catalog No: AG01C6F9 MDL No:MFCD00704676
Product Description
Catalog Number:
AG01C6F9
Chemical Name:
3-[5-(1-METHYL-2-OXO-1,2-DIHYDRO-INDOL-3-YLIDENE)-4-OXO-2-THIOXO-THIAZOLI+
CAS Number:
306322-09-8
Molecular Formula:
C19H12N2O4S2
Molecular Weight:
396.4396
MDL Number:
MFCD00704676
IUPAC Name:
3-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
InChI:
InChI=1S/C19H12N2O4S2/c1-20-13-8-3-2-7-12(13)14(16(20)22)15-17(23)21(19(26)27-15)11-6-4-5-10(9-11)18(24)25/h2-9H,1H3,(H,24,25)/b15-14-
InChI Key:
FHKMURRRZLRQLF-PFONDFGASA-N
SMILES:
S=C1SC(=C2c3ccccc3N(C2=O)C)C(=O)N1c1cccc(c1)C(=O)O
Properties
Complexity:
750
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
396.024g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.435g/mol
Monoisotopic Mass:
396.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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