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79610-23-4 | 4-Thiazolidinone, 5-(3-methyl-2(3H)-benzothiazolylidene)-3-(phenylmethyl)-2-thioxo-
CAS No: 79610-23-4 Catalog No: AG0057QN MDL No:
Product Description
Catalog Number:
AG0057QN
Chemical Name:
4-Thiazolidinone, 5-(3-methyl-2(3H)-benzothiazolylidene)-3-(phenylmethyl)-2-thioxo-
CAS Number:
79610-23-4
Molecular Formula:
C18H14N2OS3
Molecular Weight:
370.5116
IUPAC Name:
3-benzyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H14N2OS3/c1-19-13-9-5-6-10-14(13)23-17(19)15-16(21)20(18(22)24-15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI Key:
DKGAHMQIMZILDX-UHFFFAOYSA-N
SMILES:
S=C1SC(=c2sc3c(n2C)cccc3)C(=O)N1Cc1ccccc1
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.027g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.503g/mol
Monoisotopic Mass:
370.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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