2-Isopropylbenzenethiol - CAS 6262-87-9
Catalog: |
BB031701 |
Product Name: |
2-Isopropylbenzenethiol |
CAS: |
6262-87-9 |
Synonyms: |
2-propan-2-ylbenzenethiol |
IUPAC Name: | 2-propan-2-ylbenzenethiol |
Description: | 2-Isopropylbenzenethiol (CAS# 6262-87-9) is a useful research chemical. |
Molecular Weight: | 152.26 |
Molecular Formula: | C9H12S |
Canonical SMILES: | CC(C)C1=CC=CC=C1S |
InChI: | InChI=1S/C9H12S/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3 |
InChI Key: | QEDRUXIMTJVXFL-UHFFFAOYSA-N |
Boiling Point: | 220 °C |
Purity: | 98 % |
Density: | 1.005 g/cm3 |
Appearance: | Colorless to light yellow liquid |
MDL: | MFCD00004837 |
LogP: | 3.09870 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264816-A | Spiro [ cyclopropane-1, 2' -indene ] -1',3' -diketone derivative and synthetic method thereof | 20210531 |
CN-112083100-A | Method for simultaneously detecting multiple volatile components in pepper or pepper product | 20200911 |
WO-2021125168-A1 | Photosensitive transfer material, method for producing same, method for producing metal conductive material with pattern, film, touch panel, deterioration suppressing method, and multilayer body | 20191218 |
WO-2020225330-A1 | Dhodh inhibitors and their use as antiviral agents | 20190507 |
WO-2020189540-A1 | Method for preparing aromatic amino acid derivative | 20190315 |
PMID | Publication Date | Title | Journal |
12109905 | 20020718 | 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor | Journal of medicinal chemistry |
Complexity: | 98.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.06597156 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.06597156 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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