1-Bromo-4-(isopropylsulfanyl)benzene - CAS 70398-89-9
Catalog: |
BB071409 |
Product Name: |
1-Bromo-4-(isopropylsulfanyl)benzene |
CAS: |
70398-89-9 |
Synonyms: |
1-Bromo-4-(propan-2-ylsulfanyl)benzene; Benzene, 1-bromo-4-[(1-methylethyl)thio]-; 1-Bromo-4-(isopropylthio)benzene; (4-bromophenyl)(isopropyl)sulfane; Isopropyl p-bromophenyl sulfide; 1-BROMO-4-(ISOPROPYLSULFANYL)BENZENE; 1-bromo-4-propan-2-ylsulfanylbenzene; Sulfide, p-bromophenyl isopropyl (7CI) |
IUPAC Name: | 1-bromo-4-propan-2-ylsulfanylbenzene |
Description: | 1-Bromo-4-(isopropylsulfanyl)benzene |
Molecular Weight: | 231.15 |
Molecular Formula: | C9H11BrS |
Canonical SMILES: | CC(C)SC1=CC=C(C=C1)Br |
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 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.97648 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.97648 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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