Basic information
- CAS
2228795-18-2- Standard SMILES
CC1(C)OCC(CCS)O1- InChIKey
ZJDSPHKKVAACOQ-UHFFFAOYSA-N- Molecular formula
- C7H14O2S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.07145086
Names & identifiers
- Preferred name
- 2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethane-1-thiol
- IUPAC
- 2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanethiol
Names & synonyms
2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1-thiol2228795-18-2RefChem:451681886-368-0SCHEMBL10732270EN300-1988094
Database identifiers
- CAS
2228795-18-2- PubChem CID
- 20189652
- EC Number
- 886-368-0
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 19.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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