| CAS Number | 38275-50-2 |
| Catalog Number | AG00CLLV(AGN-PC-0WAN7W) |
| Chemical Name | 2-(Methylsulfonyl)pyrimidine-5-carbonitrile |
| IUPAC Name | 2-methylsulfonylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C6H5N3O2S/c1-12(10,11)6-8-3-5(2-7)4-9-6/h3-4H,1H3 |
| InChI Key | SAZRYISVTJYEBH-UHFFFAOYSA-N |
| MDL Number | MFCD27923154 |
| Molecular Formula | C6H5N3O2S |
| Molecular Weight | 183.1878 |
| SMILES | CS(=O)(=O)C1=NC=C(C=N1)C#N |
| Synonyms | 2-(Methylsulfonyl)pyrimidine-5-carbonitrile,
38275-50-2,
5-cyano-2-methylsulfonylpyrimidine,
AK143580,
SCHEMBL16835367,
KS-00000RZM,
DTXSID90518927,
MFCD27923154,
ZINC75576208,
AKOS022176324,
DS-7694,
FCH2496516,
AJ-121694,
AX8282829,
ST2404046,
2-(Methanesulfonyl)pyrimidine-5-carbonitrile,
4CH-018529,
CS-0045902,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.185g/mol |
| Monoisotopic Mass | 183.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number