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19334-85-1 | 4-Thiazolidinone, 3-(3,4-dimethoxyphenyl)-2-thioxo-
CAS No: 19334-85-1 Catalog No: AG00I2XT MDL No:MFCD07658190
Product Description
Catalog Number:
AG00I2XT
Chemical Name:
4-Thiazolidinone, 3-(3,4-dimethoxyphenyl)-2-thioxo-
CAS Number:
19334-85-1
Molecular Formula:
C11H11NO3S2
Molecular Weight:
269.3399
MDL Number:
MFCD07658190
IUPAC Name:
3-(3,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NO3S2/c1-14-8-4-3-7(5-9(8)15-2)12-10(13)6-17-11(12)16/h3-5H,6H2,1-2H3
InChI Key:
ZKZFBXCSOCBAKW-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)N1C(=S)SCC1=O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.333g/mol
Monoisotopic Mass:
269.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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