| CAS Number | 7205-62-1 |
| Catalog Number | AG005DBE(AGN-PC-0LQ197) |
| Chemical Name | Benzene, 1-chloro-4-[(1-methylethyl)thio]- |
| IUPAC Name | 1-chloro-4-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3 |
| InChI Key | ZWKPKISWPZWKLB-UHFFFAOYSA-N |
| MDL Number | MFCD12973572 |
| Molecular Formula | C9H11ClS |
| Molecular Weight | 186.7016 |
| SMILES | CC(Sc1ccc(cc1)Cl)C |
| Synonyms | 1-Chloro-4-(isopropylsulfanyl)benzene,
7205-62-1,
Benzene, 1-chloro-4-[(1-methylethyl)thio]-,
AC1NT4R6,
SCHEMBL216701,
CTK2H2992,
DTXSID90415881,
(4-Chlorophenyl)isopropyl sulfide,
ZWKPKISWPZWKLB-UHFFFAOYSA-N,
1-chloro-4-(isopropylthio)benzene,
ZINC33835179,
1-chloro-4-propan-2-ylsulfanylbenzene,
1-chloro-4-(propan-2-ylsulfanyl)benzene,
InChI=1/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H,
CID5324157,
1-chloro-4-propan-2-ylsulfanyl-benzene,
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| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.697g/mol |
| Monoisotopic Mass | 186.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number