Basic information
- CAS
58721-01-0- Standard SMILES
CC1(C)SC(C)(C)C1=O- InChIKey
RDTYEOXWKJSNTK-UHFFFAOYSA-N- Molecular formula
- C7H12OS
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.060886
Names & identifiers
- Preferred name
- 2,2,4,4-Tetramethylthietan-3-one
- IUPAC
- 2,2,4,4-tetramethylthietan-3-one
- English name
- 2,2,4,4-Tetramethyl-3-thietanone
- Molecular formula
- C7H12OS
- Molecular weight
- 144.23
Names & synonyms
2,2,4,4-tetramethylthietan-3-one58721-01-02,2,4,4-TETRAMETHYL-3-THIETANONEC7H12OSMFCD09865540NSC135403SCHEMBL8333281DTXSID40300218RDTYEOXWKJSNTK-UHFFFAOYSA-N2,2,4,4-tetramethyl-3-oxothietaneAKOS015950395NSC-135403
Show more names
3-Thietanone, 2,2,4,4-tetramethyl-
SY122210H11479F540042
Database identifiers
- CAS
58721-01-0- PubChem CID
- 282214
- DTXSID
DTXSID40300218- Nikkaji
- J1.163.835J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 13 · 13-14℃
- Boiling point
- 160 ℃ · 160℃
- Density
- 1.003 · 1.003
- refractive index
- 1.5102 · 1.5102
- Flash point
- 42 ℃ · 42℃
- form
- Solid
Chemistry & industry
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
Related reactions
5 records
Compound notes
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