2-(Methylthio)cyclohexanone - CAS 52190-35-9
Catalog: |
BB027734 |
Product Name: |
2-(Methylthio)cyclohexanone |
CAS: |
52190-35-9 |
Synonyms: |
2-methylsulfanylcyclohexan-1-one |
IUPAC Name: | 2-methylsulfanylcyclohexan-1-one |
Description: | 2-(Methylthio)cyclohexanone (CAS# 52190-35-9) is a useful research chemical. |
Molecular Weight: | 144.23 |
Molecular Formula: | C7H12OS |
Canonical SMILES: | CSC1CCCCC1=O |
InChI: | InChI=1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3 |
InChI Key: | QFABNUVNDKOIEH-UHFFFAOYSA-N |
Boiling Point: | 45 °C / 10.1 mmHg (lit.) |
Density: | 1.069 g/cm3 |
MDL: | MFCD00209603 |
LogP: | 1.86110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2018109167-A | Monomers, polymers, and photoresist compositions | 20161230 |
US-2018203352-A1 | Monomers, polymers and photoresist compositions | 20161230 |
JP-2021113995-A | Monomers, polymers, and photoresist compositions | 20161230 |
WO-2017087659-A1 | Liquid crystal sensor | 20151118 |
US-2020409221-A1 | Liquid crystal sensor | 20151118 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.06088618 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.06088618 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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