| CAS Number | 1019014-31-3 |
| Catalog Number | AG01A7JX |
| Chemical Name | 4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbonitrile |
| IUPAC Name | 4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile |
| InChI | InChI=1S/C7H7N3S2/c1-2-3-10-6(9)5(4-8)12-7(10)11/h2H,1,3,9H2 |
| InChI Key | XEZSZCKVEZGVGM-UHFFFAOYSA-N |
| MDL Number | MFCD09861267 |
| Molecular Formula | C7H7N3S2 |
| Molecular Weight | 197.2806 |
| SMILES | NC1N(CC=C)C(=S)SC=1C#N |
| Synonyms | 4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbonitrile,
1019014-31-3,
EN300-58966,
AC1Q519F,
CTK7D5528,
FCH831219,
ZINC39947570,
AKOS005192852,
MCULE-6882408525,
NE17527,
Z276553842,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.274g/mol |
| Monoisotopic Mass | 197.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number