| CAS Number | 17503-31-0 |
| Catalog Number | AG01A3ZW(AGN-PC-00GT8R) |
| Chemical Name | Ethyl 2-carbamothioyl-2-methylacetate |
| IUPAC Name | ethyl 3-amino-2-methyl-3-sulfanylidenepropanoate |
| InChI | InChI=1S/C6H11NO2S/c1-3-9-6(8)4(2)5(7)10/h4H,3H2,1-2H3,(H2,7,10) |
| InChI Key | LSQDXOUJTRKJEX-UHFFFAOYSA-N |
| MDL Number | MFCD20694180 |
| Molecular Formula | C6H11NO2S |
| Molecular Weight | 161.2220 |
| SMILES | CCOC(C(C(N)=S)C)=O |
| Synonyms | ethyl 2-carbamothioyl-2-methylacetate,
17503-31-0,
Ethyl 3-amino-2-methyl-3-thioxopropanoate,
SCHEMBL2117569,
LSQDXOUJTRKJEX-UHFFFAOYSA-N,
MFCD20694180,
NE31389,
Propanoic acid, 3-amino-2-methyl-3-thioxo-, ethyl ester,
Ethyl 2-carbamothioylpropanoate,
CID11819343,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.219g/mol |
| Monoisotopic Mass | 161.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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