| CAS Number | 127426-26-0 |
| Catalog Number | AG000X2R(AGN-PC-0WAMZF) |
| Chemical Name | 4-Thiazolecarbonitrile, 2,5-dichloro- |
| IUPAC Name | 2,5-dichloro-1,3-thiazole-4-carbonitrile |
| InChI | InChI=1S/C4Cl2N2S/c5-3-2(1-7)8-4(6)9-3 |
| InChI Key | XDJYKTMDZSUEEP-UHFFFAOYSA-N |
| MDL Number | MFCD16653247 |
| Molecular Formula | C4Cl2N2S |
| Molecular Weight | 179.0272 |
| SMILES | N#CC1=C(Cl)SC(Cl)=N1 |
| Synonyms | 2,5-Dichlorothiazole-4-carbonitrile,
127426-26-0,
SCHEMBL8808626,
DTXSID30561634,
MFCD16653247,
ZINC34318664,
dichloro-1,3-thiazole-4-carbonitrile,
AKOS006332718,
4-Thiazolecarbonitrile, 2,5-dichloro-,
DS-5970,
AJ-87949,
AK138244,
2,5-dichloro-1,3-thiazole-4-carbonitrile,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.018g/mol |
| Monoisotopic Mass | 177.916g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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Signal Words
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warning
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UN Code
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Certificate of Analysis
Lot Number