| CAS Number | 770-34-3 |
| Catalog Number | AG005RCC(AGN-PC-0JSCCS) |
| Chemical Name | Benzyl isopropyl sulfide |
| IUPAC Name | propan-2-ylsulfanylmethylbenzene |
| InChI | InChI=1S/C10H14S/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChI Key | GGIZKZIRURGXOI-UHFFFAOYSA-N |
| MDL Number | MFCD06252406 |
| Molecular Formula | C10H14S |
| Molecular Weight | 166.2832 |
| SMILES | S(CC1C=CC=CC=1)C(C)C |
| Synonyms | Benzyl isopropyl sulfide,
isopropyl benzyl sulfide,
770-34-3,
Benzene, [[(1-methylethyl)thio]methyl]-,
Benzylisopropyl sulfide,
AC1LB0N7,
SCHEMBL560907,
propan-2-ylsulfanylmethylbenzene,
CTK2G7026,
DTXSID80335504,
GGIZKZIRURGXOI-UHFFFAOYSA-N,
MFCD06252406,
ZINC32163311,
[(propan-2-ylsulfanyl)methyl]benzene,
CID525513,
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| Complexity | 93 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.282g/mol |
| Monoisotopic Mass | 166.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number