| CAS Number | 40235-62-9 |
| Catalog Number | AG019NH9(AGN-PC-0NEJ6T) |
| Chemical Name | Carbamothioylmethyl acetate |
| IUPAC Name | (2-amino-2-sulfanylideneethyl) acetate |
| InChI | InChI=1S/C4H7NO2S/c1-3(6)7-2-4(5)8/h2H2,1H3,(H2,5,8) |
| InChI Key | JJDXREXQSCIIJY-UHFFFAOYSA-N |
| MDL Number | MFCD11505599 |
| Molecular Formula | C4H7NO2S |
| Molecular Weight | 133.1689 |
| SMILES | CC(OCC(N)=S)=O |
| Synonyms | Carbamothioylmethyl Acetate,
2-amino-2-thioxoethyl acetate,
40235-62-9,
2-acetoxythioacetamide,
AC1Q1LBV,
SCHEMBL6618960,
CTK6A2453,
JJDXREXQSCIIJY-UHFFFAOYSA-N,
ZINC32627844,
AKOS027473381,
NE30601,
EN300-40416,
Z1953498696,
CID11018908,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.165g/mol |
| Monoisotopic Mass | 133.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number