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Home > Indoles and Oxindole > 911714-38-0
911714-38-0 | 4-Thiazolidinone, 5-(1H-indol-5-ylmethylene)-2-thioxo-
CAS No: 911714-38-0 Catalog No: AG01EZ0I MDL No:
Product Description
Catalog Number:
AG01EZ0I
Chemical Name:
4-Thiazolidinone, 5-(1H-indol-5-ylmethylene)-2-thioxo-
CAS Number:
911714-38-0
Molecular Formula:
C12H8N2OS2
Molecular Weight:
260.3347
IUPAC Name:
4-hydroxy-5-[(E)-indol-5-ylidenemethyl]-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C12H8N2OS2/c15-11-10(17-12(16)14-11)6-7-1-2-9-8(5-7)3-4-13-9/h1-6,15H,(H,14,16)/b7-6+
InChI Key:
KGALBIOUCFTNAP-VOTSOKGWSA-N
SMILES:
S=C1NC(=O)/C(=C/c2ccc3c(c2)cc[nH]3)/S1
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
260.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.329g/mol
Monoisotopic Mass:
260.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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