({[5-({[4-(Ethoxycarbonyl)phenyl]amino}carbonyl)-1,3,4-thiadiazol-2-yl]methyl}thio)acetic Acid | CAS No. 1142209-96-8

({[5-({[4-(Ethoxycarbonyl)phenyl]amino}carbonyl)-1,3,4-thiadiazol-2-yl]methyl}thio)acetic Acid

Basic Information

CAS Number

1142209-96-8

Molecular Formula

C15H15N3O5S2

Molecular Weight

381.43 g/mol

AD

Basic Physical Properties

CCOC(=O)c1ccc(cc1)NC(=O)c1nnc(s1)CSCC(=O)O

InChI

InChI=1S/C15H15N3O5S2/c1-2-23-15(22)9-3-5-10(6-4-9)16-13(21)14-18-17-11(25-14)7-24-8-12(19)20/h3-6H,2,7-8H2,1H3,(H,16,21)(H,19,20)

InChIKey

FMQWNGMJMIEASV-UHFFFAOYSA-N

LogP

2.2849

Topological Polar Surface Area

118.48 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • ({[5-({[4-(ethoxycarbonyl)phenyl]amino}carbonyl)-1,3,4-thiadiazol-2-yl]methyl}thio)acetic acid
  • benzoic acid, 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbonyl]amino]-, 1-ethyl ester
  • ({[5-({[4-(ethoxycarbonyl)phenyl]amino}carbonyl)-1,3,4-thiadiazol-2-yl]methyl}thio)ac
  • benzoic acid, 4-[[[5-[[(carboxymethyl)thio]methyl]-1,3,4-t
  • ({[5-({[4-(Ethoxycarbonyl)phenyl]amino}carbonyl)-1,3,4-thiadiazol-2-yl]meth yl}thio)acetic acid

MDL Number

MFCD12028284

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