4-Methylphenylthioacetic acid - CAS 3996-29-0
Catalog: |
BB024223 |
Product Name: |
4-Methylphenylthioacetic acid |
CAS: |
3996-29-0 |
Synonyms: |
2-(4-methylphenyl)sulfanylacetic acid |
IUPAC Name: | 2-(4-methylphenyl)sulfanylacetic acid |
Description: | 4-Methylphenylthioacetic acid (CAS# 3996-29-0) is a useful research chemical. |
Molecular Weight: | 182.24 |
Molecular Formula: | C9H10O2S |
Canonical SMILES: | CC1=CC=C(C=C1)SCC(=O)O |
InChI: | InChI=1S/C9H10O2S/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | XCRDQVBOVYWDPH-UHFFFAOYSA-N |
Boiling Point: | 323.2 ℃ at 760 mmHg |
Density: | 1.23 g/cm3 |
MDL: | MFCD00034675 |
LogP: | 2.17170 |
Publication Number | Title | Priority Date |
WO-2021003295-A1 | Modulators of hsd17b13 and methods of use thereof | 20190702 |
WO-2020031799-A1 | Coloring composition | 20180808 |
US-2020131194-A1 | Fms-like tyrosine kinase inhibitors | 20180403 |
WO-2019191896-A1 | Fms-like tyrosine kinase inhibitors | 20180403 |
WO-2019163732-A1 | Compound and coloring resin composition | 20180226 |
PMID | Publication Date | Title | Journal |
21754266 | 20110501 | catena-Poly[[diaqua-bis-[2-(4-tolyl-sulfanyl)acetato-κO]manganese(II)]-μ-4,4'-bipyridine-κN:N'] | Acta crystallographica. Section E, Structure reports online |
21201594 | 20080806 | catena-Poly[[diaqua-[(4-tolyl-sulfan-yl)acetato-κO]cadmium(II)]-μ-4,4'-bipyridine-κN:N'] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.04015073 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 62.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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