Basic information
- CAS
17643-70-8- Standard SMILES
CC(C)C1OCCS1- InChIKey
JTGZVABCBHZNLP-UHFFFAOYSA-N- Molecular formula
- C6H12OS
- Average molar mass
- 132.23 g/mol
- Monoisotopic mass
- 132.06088618
Names & identifiers
- Preferred name
- 2-(1-Methylethyl)-1,3-oxathiolane
- IUPAC
- 2-propan-2-yl-1,3-oxathiolane
- English name
- 2-Isopropyl-1,3-oxathiolane
- Molecular formula
- C6H12OS
- Molecular weight
- 132.22
Names & synonyms
17643-70-8RefChem:10606542-(1-Methylethyl)-1,3-oxathiolane2-Isopropyl-1,3-oxathiolane2-Isopropyl-1,3-oxothiolane2-propan-2-yl-1,3-oxathiolaneBRN 01028121,3-OXATHIOLANE, 2-ISOPROPYL-2-(Propan-2-yl)-1,3-oxathiolaneSCHEMBL11250642DTXSID80938796JTGZVABCBHZNLP-UHFFFAOYSA-N
Show more names
1,3-Oxathiolane, 2-(1-methylethyl)-
Database identifiers
- CAS
17643-70-8- PubChem CID
- 28673
- DTXSID
DTXSID80938796- Nikkaji
- J49.920J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.9
Physicochemical properties
- Boiling point
- 29 °C · 29 °C(Press: 2.5 Torr)
- Density
- 1.006 · 1.006±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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