| CAS Number | 683-63-6 |
| Catalog Number | AG005R7M(AGN-PC-00JUOE) |
| Chemical Name | Methoxycarbothioamide |
| IUPAC Name | O-methyl carbamothioate |
| InChI | InChI=1S/C2H5NOS/c1-4-2(3)5/h1H3,(H2,3,5) |
| InChI Key | HXIRTSKHPFRRKO-UHFFFAOYSA-N |
| MDL Number | MFCD19203433 |
| Molecular Formula | C2H5NOS |
| Molecular Weight | 91.1322 |
| SMILES | COC(N)=S |
| Synonyms | methoxycarbothioamide,
683-63-6,
Carbamothioic acid, O-methyl ester,
methyl thiocarbamate,
O-Methyl carbamothioate,
CTK1J2241,
DTXSID20511926,
ZINC39319753,
AKOS006337432,
NE25121,
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| Complexity | 44.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 91.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 91.128g/mol |
| Monoisotopic Mass | 91.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number