| CAS Number | 130089-89-3 |
| Catalog Number | AG01A7PV(AGN-PC-0WOQFO) |
| Chemical Name | 4-Amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbothioamide |
| IUPAC Name | 4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide |
| InChI | InChI=1S/C7H9N3S3/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11) |
| InChI Key | AKJRCBQXRLLJSO-UHFFFAOYSA-N |
| MDL Number | MFCD03508107 |
| Molecular Formula | C7H9N3S3 |
| Molecular Weight | 231.3615 |
| SMILES | NC(C1=C(N)N(CC=C)C(=S)S1)=S |
| Synonyms | 4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carbothioamide,
130089-89-3,
EN300-59471,
AC1Q4ZY7,
ZINC47843712,
AKOS026741014,
FCH1324937,
MCULE-5559904846,
NE12515,
Z1815149151,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.35g/mol |
| Monoisotopic Mass | 230.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number