| CAS Number | 91163-89-2 |
| Catalog Number | AG01A5W0(AGN-PC-00M1CP) |
| Chemical Name | 4-(1H-Imidazol-1-yl)thiophene-2-carbaldehyde |
| IUPAC Name | 4-imidazol-1-ylthiophene-2-carbaldehyde |
| InChI | InChI=1S/C8H6N2OS/c11-4-8-3-7(5-12-8)10-2-1-9-6-10/h1-6H |
| InChI Key | NETHONVYJZOPMN-UHFFFAOYSA-N |
| MDL Number | MFCD08668346 |
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.2110 |
| SMILES | O=CC1=CC(N2C=CN=C2)=CS1 |
| Synonyms | 4-(1H-imidazol-1-yl)thiophene-2-carbaldehyde,
91163-89-2,
2-Thiophenecarboxaldehyde, 4-(1H-imidazol-1-yl)-,
ACMC-20lu1r,
SCHEMBL10365507,
CTK3G5219,
DTXSID70536669,
NETHONVYJZOPMN-UHFFFAOYSA-N,
ZINC39598714,
AKOS006289499,
4-(1-imidazolyl)-thiophen-2-aldehyde,
NE46330,
4-(1-imidazolyl)-thiophene-2-aldehyde,
4-(imidazol-1-yl)-thiophen-2-aldehyde,
4-(1H-Imidazol-1-yl)-thiophen-2-aldehyde,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.209g/mol |
| Monoisotopic Mass | 178.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number