| CAS Number | 7494-00-0 |
| Catalog Number | AG003ILL(AGN-PC-0WA7SR) |
| Chemical Name | 3,5-Dichloro-4-thiocyanatoaniline |
| IUPAC Name | (4-amino-2,6-dichlorophenyl) thiocyanate |
| InChI | InChI=1S/C7H4Cl2N2S/c8-5-1-4(11)2-6(9)7(5)12-3-10/h1-2H,11H2 |
| InChI Key | AUQLKWHRBNNOEH-UHFFFAOYSA-N |
| MDL Number | MFCD11855832 |
| Molecular Formula | C7H4Cl2N2S |
| Molecular Weight | 219.0911 |
| SMILES | N#CSc1c(Cl)cc(cc1Cl)N |
| Synonyms | 3,5-Dichloro-4-thiocyanatoaniline,
7494-00-0,
ACMC-209owj,
CTK5E0724,
DTXSID40675034,
ANW-36545,
MFCD11855832,
ZINC38537510,
AKOS015848857,
4-Amino-2,6-dichlorophenyl thiocyanate,
TR-024170,
V7596,
B-8287,
I09-2147,
C7H4Cl2N2S,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.083g/mol |
| Monoisotopic Mass | 217.947g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number