| CAS Number | 1208170-17-5 |
| Catalog Number | AG00HFS8(AGN-PC-0CBI1I) |
| Chemical Name | 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile |
| IUPAC Name | 4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C7H6ClN3S/c1-4-5(3-9)6(8)11-7(10-4)12-2/h1-2H3 |
| InChI Key | RNSMJMNRTRHBSF-UHFFFAOYSA-N |
| MDL Number | MFCD28134480 |
| Molecular Formula | C7H6ClN3S |
| Molecular Weight | 199.6606 |
| SMILES | N#CC1=C(C)N=C(SC)N=C1Cl |
| Synonyms | 4-Chloro-6-methyl-2-(methylthio)pyrimidine-5-carbonitrile,
1208170-17-5,
AK162092,
4-Chloro-6-methyl-2-(methylthio)-pyrimidine-5-carbonitrile,
SCHEMBL1939799,
RNSMJMNRTRHBSF-UHFFFAOYSA-N,
MFCD28134480,
AKOS024463772,
ZINC117591313,
DS-7447,
FCH2701415,
AX8294538,
4-chloro-6-methyl-2-(methylthio)-5-pyrimidinecarbonitrile,
4-chloro-6-methyl-2-methylsulfanylpyrimidine-5-carbonitrile,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.656g/mol |
| Monoisotopic Mass | 198.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-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