Basic information
- CAS
50847-92-2- Standard SMILES
CC1(C)SCCNC1=O- InChIKey
HWPDXZVUBFSYIE-UHFFFAOYSA-N- Molecular formula
- C6H11NOS
- Average molar mass
- 145.23 g/mol
- Monoisotopic mass
- 145.05613515
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-thiomorpholinone
- IUPAC
- 2,2-dimethylthiomorpholin-3-one
- English name
- MFCD01680349
- Molecular formula
- C6H11NOS
- Molecular weight
- 145.22
Names & synonyms
50847-92-23-Thiomorpholinone, 2,2-dimethyl-2,2-Dimethyl-3-thiomorpholinone2,2-Dimethyl-3-thiomorpholone2FV8NDV4XGNSC 17620BRN 0112495UNII-2FV8NDV4XGNSC-17620DTXSID101988864-27-00-02568 (Beilstein Handbook Reference)RefChem:197277
Show more names
2,2-dimethyl-3-oxothiomorpholine
DTXCID701213772,2-dimethylthiomorpholin-3-oneMFCD01680349NSC17620SCHEMBL1441598HWPDXZVUBFSYIE-UHFFFAOYSA-N2,2-Dimethyl-thiomorpholin-3-oneEX-A11467K
Database identifiers
- CAS
50847-92-2- PubChem CID
- 95098
- DTXSID
DTXSID10198886- UNII
- 2FV8NDV4XG
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 310.3 · 310.3±35.0 °C(Predicted)
- Density
- 1.069 · 1.069 (estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 14.26 · 14.26±0.40(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 FV8NDV4XG · 2FV8NDV4XG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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