AC1M2MG6
3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
Also Known As: SR-01000298777-1|F1743-0034|3-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid|3-(4-prop-2-enyl-5-(2-thienyl)-1,2,4-triazol-3-ylthio)propanoic acid|3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid|3-((4-allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)propanoic acid|3-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid
| Molecular Formula | C12H13N3O2S2 |
|---|---|
| Molecular Weight | 295.04492 g/mol |
| LogP | 2.7594 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.04492 |
| Monoisotopic Mass | 295.04492 |
| Heavy Atoms | 19 |
| Complexity | 563.54645 |
Chemical Identifiers
| CAS Number | 690249-55-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCCC(=O)O)C2=CC=CS2 |
Product Overview
AC1M2MG6 (CAS 690249-55-9), with molecular formula C12H13N3O2S2 and molecular weight 295.04492 g/mol. IUPAC: 3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid.
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