Basic information
- CAS
5718-74-1- Standard SMILES
CC12CCC(CC1)C(C)(C)S2- InChIKey
NUVDNPOZQMQNKE-UHFFFAOYSA-N- Molecular formula
- C10H18S
- Average molar mass
- 170.32 g/mol
- Monoisotopic mass
- 170.11292175
Names & identifiers
- Preferred name
- 1,3,3-Trimethyl-2-thiabicyclo[2.2.2]octane
- IUPAC
- 1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane
- English name
- 1,3,3-trimethyl-2-thiabicyclo[2.2.2]octane
- Molecular formula
- C10H18S
- Molecular weight
- 170.31
Names & synonyms
1,3,3-Trimethyl-2-thiabicyclo[2.2.2]octaneEINECS 227-218-02-Thiabicyclo[2.2.2]octane, 1,3,3-trimethyl-DTXSID60639851,3,3-Trimethyl-2-thiabicyclo(2.2.2)octane2-Thiabicyclo(2.2.2)octane, 1,3,3-trimethyl-RefChem:72216DTXCID4042177227-218-0NUVDNPOZQMQNKE-UHFFFAOYSA-N5718-74-1SCHEMBL2977851
Show more names
AKOS006291707NS00033658
Database identifiers
- CAS
5718-74-1- PubChem CID
- 110698
- DTXSID
DTXSID6063985- EC Number
- 227-218-0
- Nikkaji
- J225.113B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 72 °C · 72 °C(Press: 5 Torr)
- Density
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2-Thiabicyclo[2.2.2]octane, 1,3,3-trimethyl- (5718-74-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Thiabicyclo[2.2.2]octane, 1,3,3-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiabicyclo[2.2.2]octane, 1,3,3-trimethyl-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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