| CAS Number | 885281-13-0 |
| Catalog Number | AG0045Q7(AGN-PC-0VM5VQ) |
| Chemical Name | 1-Methyl-1H-imidazole-2-carbothioamide |
| IUPAC Name | 1-methylimidazole-2-carbothioamide |
| InChI | InChI=1S/C5H7N3S/c1-8-3-2-7-5(8)4(6)9/h2-3H,1H3,(H2,6,9) |
| InChI Key | NHPINUWBFXVBKO-UHFFFAOYSA-N |
| MDL Number | MFCD05662456 |
| Molecular Formula | C5H7N3S |
| Molecular Weight | 141.1942 |
| SMILES | CN1C=CN=C1C(=S)N |
| Synonyms | 1-methyl-1H-imidazole-2-carbothioamide,
885281-13-0,
1-METHYL-1H-IMIDAZOLE-2-CARBOTHIOIC ACID AMIDE,
1H-Imidazole-2-carbothioamide, 1-methyl-,
CTK5G0703,
DTXSID70693100,
ZINC2546138,
9910AH,
AKOS006295719,
AB21755,
NE17361,
1H-Imidazole-2-carbothioamide,1-methyl-,
DB-077864,
FT-0759989,
C5H7N3S,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.192g/mol |
| Monoisotopic Mass | 141.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number