2-(methylthio)cyclohexanone
2-(methylthio)cyclohexanone structure
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Common Name | 2-(methylthio)cyclohexanone | ||
|---|---|---|---|---|
| CAS Number | 52190-35-9 | Molecular Weight | 144.23500 | |
| Density | 1.069 g/mL at 25ºC(lit.) | Boiling Point | 45ºC10.1 mm Hg(lit.) | |
| Molecular Formula | C7H12OS | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 193 °F | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Summary: 2-(methylthio)cyclohexanone (CAS number: 52190-35-9, molecular formula: C7H12OS), For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methylsulfanylcyclohexan-1-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.069 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 45ºC10.1 mm Hg(lit.) |
| Molecular Formula | C7H12OS |
| Molecular Weight | 144.23500 |
| Flash Point | 193 °F |
| Exact Mass | 144.06100 |
| PSA | 42.37000 |
| LogP | 1.86110 |
| Index of Refraction | n20/D 1.508(lit.) |
| InChIKey | QFABNUVNDKOIEH-UHFFFAOYSA-N |
| SMILES | CSC1CCCCC1=O |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 3 |
| HS Code | 2930909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:99861-33-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Studies on the stereoselectivity of hydride reductions on 2-(methylthio)-and 2-(methylsulfonyl) cyclohexanones. Carmen CM, et al.
J. Org. Chem. 52(16) , 3619-3625, (1987)
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Nitrone formation in phosphate buffer and aqueous solutions: novel chemistry inspired by a natural product. Pansanit A, et al.
Tetrahedron Lett. 53(16) , 2129-2131, (2012)
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Axial/equatorial proportions for 2-substituted cyclohexanones. Basso EA, et al.
J. Org. Chem. 58(27) , 7865-7869, (1993)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-methylsulfanyl-cyclohexanone |
| 2-(Methylthio)cyclohexanone |
| MFCD00209603 |
| 2-methylthiocyclohexane |
| 2-Methylmercapto-cyclohexanon |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 2-methylsulfanylcyclohexan-1-one? |
| A: SMILES notation of 2-methylsulfanylcyclohexan-1-one is CSC1CCCCC1=O. |
| Q: What is the safety information for 2-methylsulfanylcyclohexan-1-one? |
| A: Safety information for 2-methylsulfanylcyclohexan-1-one: 26-36. |
| Q: What is the molecular weight of 2-methylsulfanylcyclohexan-1-one? |
| A: Molecular weight of 2-methylsulfanylcyclohexan-1-one is 144.23500. |
| Q: What is the polar surface area (PSA) of 2-methylsulfanylcyclohexan-1-one? |
| A: Polar surface area (PSA) of 2-methylsulfanylcyclohexan-1-one is 42.37000. |
| Q: What is the CAS number of 2-methylsulfanylcyclohexan-1-one? |
| A: CAS number of 2-methylsulfanylcyclohexan-1-one is 52190-35-9. |
| Q: What is the English name of 2-methylsulfanylcyclohexan-1-one? |
| A: The English name of 2-methylsulfanylcyclohexan-1-one is 2-methylsulfanylcyclohexan-1-one. |
| Q: What is the LogP of 2-methylsulfanylcyclohexan-1-one? |
| A: LogP of 2-methylsulfanylcyclohexan-1-one is 1.86110. |
| Q: What English synonyms does 2-methylsulfanylcyclohexan-1-one have? |
| A: English synonyms of 2-methylsulfanylcyclohexan-1-one: 2-methylsulfanyl-cyclohexanone, 2-(Methylthio)cyclohexanone, MFCD00209603, 2-methylthiocyclohexane, 2-Methylmercapto-cyclohexanon. |
| Q: What is the InChIKey of 2-methylsulfanylcyclohexan-1-one? |
| A: InChIKey of 2-methylsulfanylcyclohexan-1-one is QFABNUVNDKOIEH-UHFFFAOYSA-N. |
| Q: What is the boiling point of 2-methylsulfanylcyclohexan-1-one? |
| A: Boiling point of 2-methylsulfanylcyclohexan-1-one is 45ºC10.1 mm Hg(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |