| CAS Number | 878255-56-2 |
| Catalog Number | AG018SBN(AGN-PC-0WO8NW) |
| Chemical Name | 3-cyano-6-cyclopropyl-2-sulfanylidene-1,2-dihydropyridine-4-carboxylic acid |
| IUPAC Name | 3-cyano-6-cyclopropyl-2-sulfanylidene-1H-pyridine-4-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2S/c11-4-7-6(10(13)14)3-8(5-1-2-5)12-9(7)15/h3,5H,1-2H2,(H,12,15)(H,13,14) |
| InChI Key | JODNYZGIGVLZGQ-UHFFFAOYSA-N |
| MDL Number | MFCD12912733 |
| Molecular Formula | C10H8N2O2S |
| Molecular Weight | 220.2477 |
| SMILES | OC(C1=C(C#N)C(=S)NC(C2CC2)=C1)=O |
| Synonyms | 3-cyano-6-cyclopropyl-2-sulfanylidene-1,2-dihydropyridine-4-carboxylic acid,
878255-56-2,
EN300-34562,
3-cyano-6-cyclopropyl-2-mercaptoisonicotinic acid,
AC1NLPVJ,
CTK7C6215,
CTK7C6831,
AC1Q7220,
AC1Q7222,
ZINC4205365,
3-cyano-6-cyclopropyl-2-sulfanylidene-1H-pyridine-4-carboxylic Acid,
AKOS000122780,
AKOS026728879,
NE41581,
EN300-12505,
F8889-6834,
3-CYANO-6-CYCLOPROPYL-2-SULFANYLPYRIDINE-4-CARBOXYLIC ACID,
CID4961943,
|
| Complexity | 463 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.246g/mol |
| Monoisotopic Mass | 220.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number