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84696-95-7 | 3-Thiazolidineaceticacid,5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-
CAS No: 84696-95-7 Catalog No: AG004SNM MDL No:
Product Description
Catalog Number:
AG004SNM
Chemical Name:
3-Thiazolidineaceticacid,5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-
CAS Number:
84696-95-7
Molecular Formula:
C14H12ClN3O3S2
Molecular Weight:
369.8464
IUPAC Name:
2-[(5Z)-5-(5-chloro-1,3-dimethylbenzimidazol-2-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
InChI:
InChI=1S/C14H12ClN3O3S2/c1-16-8-4-3-7(15)5-9(8)17(2)12(16)11-13(21)18(6-10(19)20)14(22)23-11/h3-5H,6H2,1-2H3,(H,19,20)/b12-11-
InChI Key:
OFJGGNFWLYDYSG-QXMHVHEDSA-N
SMILES:
OC(=O)CN1C(=S)SC(=c2n(C)c3c(n2C)cc(cc3)Cl)C1=O
EC Number:
283-703-7
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
369.001g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.838g/mol
Monoisotopic Mass:
369.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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