| CAS Number | 402932-19-8 |
| Catalog Number | AG00C8TU(AGN-PC-0WB4CF) |
| Chemical Name | (5Z)-5-(3-ethoxy-2-hydroxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one |
| IUPAC Name | (5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C13H13NO3S2/c1-3-17-9-6-4-5-8(11(9)15)7-10-12(16)14(2)13(18)19-10/h4-7,15H,3H2,1-2H3/b10-7- |
| InChI Key | IPUWSWJKHFNHHA-YFHOEESVSA-N |
| MDL Number | MFCD01361118 |
| Molecular Formula | C13H13NO3S2 |
| Molecular Weight | 295.3772 |
| SMILES | N1(C)C(=O)/C(/SC1=S)=C/C1=CC=CC(OCC)=C1O |
| Synonyms | 402932-19-8,
(5Z)-5-(3-ethoxy-2-hydroxybenzylidene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one,
AC1LR6MB,
(Z)-5-(3-Ethoxy-2-hydroxybenzylidene)-3-methyl-2-thioxothiazolidin-4-one,
MFCD01361118,
ZINC16677481,
AJ-68954,
W-8243,
AB00095438-01,
SR-01000218718,
SR-01000218718-1,
(5Z)-5-(3-ETHOXY-2-HYDROXYBENZYLIDENE)-3-METHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE 95%,
(5Z)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one,
CHEMBRDG-BB5741334,
ZINC01206914,
CID1363308,
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| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 295.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.371g/mol |
| Monoisotopic Mass | 295.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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