| CAS Number | 857475-68-4 |
| Catalog Number | AG01AQJ4(AGN-PC-0WCNH1) |
| Chemical Name | 2-sulfanylidene-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidin-4-one |
| IUPAC Name | 2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-4-one |
| InChI | InChI=1S/C8H6N2OS2/c11-7-4-5(9-8(12)10-7)6-2-1-3-13-6/h1-4H,(H2,9,10,11,12) |
| InChI Key | GCRWCKWTDHPWIV-UHFFFAOYSA-N |
| MDL Number | MFCD16631568 |
| Molecular Formula | C8H6N2OS2 |
| Molecular Weight | 210.2760 |
| SMILES | O=C1NC(=S)NC(C2SC=CC=2)=C1 |
| Synonyms | 6-(2-thienyl)-2-thioxo-2,3-dihydropyrimidin-4(1{H})-one,
857475-68-4,
SCHEMBL17548487,
ZINC26420770,
AKOS005208260,
MCULE-2807104020,
L-3358,
F1967-0515,
2-sulfanylidene-6-(thiophen-2-yl)-1,3-dihydropyrimidin-4-one,
2-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-4-one,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.269g/mol |
| Monoisotopic Mass | 209.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number