| CAS Number | 51770-04-8 |
| Catalog Number | AG019TO3(AGN-PC-0NICIA) |
| Chemical Name | 5-Formylthiophene-3-carbonitrile |
| IUPAC Name | 5-formylthiophene-3-carbonitrile |
| InChI | InChI=1S/C6H3NOS/c7-2-5-1-6(3-8)9-4-5/h1,3-4H |
| InChI Key | DLTDLUAJPULDBI-UHFFFAOYSA-N |
| MDL Number | MFCD15142733 |
| Molecular Formula | C6H3NOS |
| Molecular Weight | 137.1591 |
| SMILES | N#CC1=CSC(C=O)=C1 |
| Synonyms | 5-Formylthiophene-3-carbonitrile,
51770-04-8,
5-formyl-thiophene-3-carbonitrile,
2-formyl-4-cyanothiophen,
SCHEMBL1467472,
4-Cyanothiophene-2-carbaldehyde,
3-Cyano-5-thiophenecarboaldehyde,
DLTDLUAJPULDBI-UHFFFAOYSA-N,
ZINC39200411,
AKOS022185480,
NE32227,
SB23058,
AJ-98986,
CS-0058048,
5-Formyl-3-thiophenecarbonitrile,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.156g/mol |
| Monoisotopic Mass | 136.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^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