| CAS Number | 65735-10-6 |
| Catalog Number | AG00IBIS(AGN-PC-09RR83) |
| Chemical Name | 5-Thiazolecarbonitrile, 2-methyl- |
| IUPAC Name | 2-methyl-1,3-thiazole-5-carbonitrile |
| InChI | InChI=1S/C5H4N2S/c1-4-7-3-5(2-6)8-4/h3H,1H3 |
| InChI Key | YQLHOMLLEOCIOH-UHFFFAOYSA-N |
| MDL Number | MFCD11506340 |
| Molecular Formula | C5H4N2S |
| Molecular Weight | 124.1637 |
| SMILES | CC=1SC(=CN1)C#N |
| Synonyms | 2-Methylthiazole-5-carbonitrile,
2-METHYL-THIAZOLE-5-CARBONITRILE,
60735-10-6,
65735-10-6,
5-Thiazolecarbonitrile, 2-methyl-,
2-Methyl-1,3-thiazole-5-carbonitrile,
SCHEMBL2693418,
DTXSID90695969,
1820AJ,
MFCD11506340,
ZINC79709822,
AKOS006324599,
AS-47368,
AJ-123797,
DB-072841,
FT-0701966,
FT-0751214,
Z-7212,
C5H4N2S,
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| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.161g/mol |
| Monoisotopic Mass | 124.01g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number