| CAS Number | 5848-25-9 |
| Catalog Number | AG019ZOM(AGN-PC-0LH5TV) |
| Chemical Name | N'-cyano-N-ethyl(methylsulfanyl)methanimidamide |
| IUPAC Name | methyl N-cyano-N'-ethylcarbamimidothioate |
| InChI | InChI=1S/C5H9N3S/c1-3-7-5(9-2)8-4-6/h3H2,1-2H3,(H,7,8) |
| InChI Key | BUFQRIDSXBTSDH-UHFFFAOYSA-N |
| MDL Number | MFCD19227968 |
| Molecular Formula | C5H9N3S |
| Molecular Weight | 143.2101 |
| SMILES | CCNC(SC)=NC#N |
| Synonyms | 5848-25-9,
1-ethyl-2-methyl-3-cyanoisothiourea,
N'-cyano-N-ethyl(methylsulfanyl)methanimidamide,
N-cyano-N'-ethyl-S-methylcarbamimidothioate,
AC1NGRAN,
SCHEMBL3760051,
CTK1E0165,
RSCBB000207,
DTXSID30406511,
BUFQRIDSXBTSDH-UHFFFAOYSA-N,
ZINC7009792,
AKOS003676796,
AKOS006379738,
AKOS017408311,
MCULE-5343840233,
methyl N-cyano-N'-ethylcarbamimidothioate,
Carbamimidothioic acid, N-cyano-N'-ethyl-, methyl ester,
CID4778776,
N-cyano-N'-ethyl-1-methylsulfanyl-methanimidamide,
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| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.208g/mol |
| Monoisotopic Mass | 143.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number