| CAS Number | 70398-89-9 |
| Catalog Number | AG005JIU(AGN-PC-0NJ9K5) |
| Chemical Name | Benzene, 1-bromo-4-[(1-methylethyl)thio]- |
| IUPAC Name | 1-bromo-4-propan-2-ylsulfanylbenzene |
| InChI | InChI=1S/C9H11BrS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3 |
| InChI Key | GXLZTSMJUOOUDW-UHFFFAOYSA-N |
| MDL Number | MFCD20484423 |
| Molecular Formula | C9H11BrS |
| Molecular Weight | 231.1526 |
| SMILES | BrC1=CC=C(C=C1)SC(C)C |
| Synonyms | 70398-89-9,
1-Bromo-4-(propan-2-ylsulfanyl)benzene,
Benzene, 1-bromo-4-[(1-methylethyl)thio]-,
1-BROMO-4-(ISOPROPYLSULFANYL)BENZENE,
1-Bromo-4-(isopropylthio)benzene,
SCHEMBL1582216,
CTK2H4934,
DTXSID20501201,
(4-bromophenyl)(isopropyl)sulfane,
1-(Isopropylthio)-4-bromobenzene,
GXLZTSMJUOOUDW-UHFFFAOYSA-N,
1-Bromo-4-isopropylsulfanylbenzene,
KS-00003H7P,
1-Bromo-4-isopropylsulfanyl-benzene,
MFCD20484423,
ZINC39241309,
AKOS017092211,
AS-8069,
AK185820,
1-Bromo-4-[(propan-2-yl)sulfanyl]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 | 229.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.151g/mol |
| Monoisotopic Mass | 229.976g/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