4-Bromo-α-toluene thioacetate - CAS 351003-15-1
Catalog: |
BB022439 |
Product Name: |
4-Bromo-α-toluene thioacetate |
CAS: |
351003-15-1 |
Synonyms: |
S-[(4-bromophenyl)methyl] ethanethioate |
IUPAC Name: | S-[(4-bromophenyl)methyl] ethanethioate |
Description: | 4-Bromo-α-toluene thioacetate (CAS# 351003-15-1 ) is a useful research chemical. |
Molecular Weight: | 245.14 |
Molecular Formula: | C9H9BrOS |
Canonical SMILES: | CC(=O)SCC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C9H9BrOS/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
InChI Key: | KRTXWFPVIBMGFF-UHFFFAOYSA-N |
Boiling Point: | 106-108 °C / 0.01 mmHg (lit.) |
Density: | 1.476 g/mL at 25 °C(lit.) |
MDL: | MFCD03427098 |
LogP: | 3.22880 |
Publication Number | Title | Priority Date |
EP-3568390-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
WO-2018132372-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
US-2021161873-A1 | Small molecule activators of nicotinamide phosphoribosyltransferase (nampt) and uses thereof | 20170110 |
CA-2949229-A1 | Benzene sulfonamide derivatives and their use as rorc modulators | 20140523 |
EP-3145912-A1 | Benzene sulfonamide derivatives and their use as rorc modulators | 20140523 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.95575 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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