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49545-47-3 | 4-Thiazolidinone, 5-[(4-methylphenyl)azo]-2-thioxo-
CAS No: 49545-47-3 Catalog No: AG006ZSG MDL No:
Product Description
Catalog Number:
AG006ZSG
Chemical Name:
4-Thiazolidinone, 5-[(4-methylphenyl)azo]-2-thioxo-
CAS Number:
49545-47-3
Molecular Formula:
C10H9N3OS2
Molecular Weight:
251.3280
IUPAC Name:
5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9N3OS2/c1-6-2-4-7(5-3-6)12-13-9-8(14)11-10(15)16-9/h2-5,9H,1H3,(H,11,14,15)
InChI Key:
JRPYTNLEOBBECW-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)SC1N=Nc1ccc(cc1)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.322g/mol
Monoisotopic Mass:
251.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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