Introduction：Basic information about CAS 20196-21-8|Thiomorpholin-3-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Thiomorpholin-3-one |
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| CAS Number | 20196-21-8 | Molecular Weight | 117.170 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 349.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C4H7NOS | Melting Point | / |
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| MSDS | / | Flash Point | 165.0±25.9 °C |
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Names
| Name | thiomorpholin-3-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 349.3±35.0 °C at 760 mmHg |
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| Molecular Formula | C4H7NOS |
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| Molecular Weight | 117.170 |
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| Flash Point | 165.0±25.9 °C |
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| Exact Mass | 117.024834 |
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| PSA | 54.40000 |
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| LogP | -1.38 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.523 |
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| InChIKey | HBDDRESWUAFAHY-UHFFFAOYSA-N |
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| SMILES | O=C1CSCCN1 |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XM3052000
- CHEMICAL NAME :
- 3-Thiomorpholinone
- CAS REGISTRY NUMBER :
- 20196-21-8
- BEILSTEIN REFERENCE NO. :
- 0107799
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C4-H7-N-O-S
- MOLECULAR WEIGHT :
- 117.18
- WISWESSER LINE NOTATION :
- T6MV DSTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4152 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 6,136,1963
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2934999090 |
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Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1,4-Tetrahydrothiazine-3-one |
| Thiomorpholin-3-on |
| thiomorpholine-3-one |
| EINECS 243-581-8 |
| Thiomorpholin-3-one |
| 3-Thiomorpholinone |
| Thiomorpholinone |
| 3-oxo thiomorpholine |
