| CAS Number | 260968-02-3 |
| Catalog Number | AG002RMV(AGN-PC-03RAXX) |
| Chemical Name | Benzene, 1-chloro-3,5-bis[(1,1-dimethylethyl)thio]- |
| IUPAC Name | 1,3-bis(tert-butylsulfanyl)-5-chlorobenzene |
| InChI | InChI=1S/C14H21ClS2/c1-13(2,3)16-11-7-10(15)8-12(9-11)17-14(4,5)6/h7-9H,1-6H3 |
| InChI Key | QVEUHOXOWGXTJG-UHFFFAOYSA-N |
| MDL Number | MFCD08276294 |
| Molecular Formula | C14H21ClS2 |
| Molecular Weight | 288.8995 |
| SMILES | C(C)(C)(C)SC=1C=C(C=C(C1)SC(C)(C)C)Cl |
| Synonyms | 3,5-Bis(tert-butylthio)-1-chlorobenzene,
260968-02-3,
ACMC-1CLEH,
1,3-Bis(tert-butylsulfanyl)-5-chlorobenzene,
SCHEMBL7106569,
CTK4F7059,
DTXSID50626971,
ANW-25876,
MFCD08276294,
ZINC44069126,
1-Chloro-3,5-bis(tert-butylthio)benzene,
RT-008207,
B2659,
J-016251,
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| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.892g/mol |
| Monoisotopic Mass | 288.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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Certificate of Analysis
Lot Number