Basic information
- CAS
59854-15-8- Standard SMILES
CC(C)(C)OC(=O)CCCS- InChIKey
BERHURMHRKPONF-UHFFFAOYSA-N- Molecular formula
- C8H16O2S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.08710092
Names & identifiers
- Preferred name
- Tert-butyl 4-sulfanylbutanoate
- IUPAC
- tert-butyl 4-sulfanylbutanoate
Names & synonyms
Tert-butyl 4-sulfanylbutanoate59854-15-8RefChem:894123958-660-9tert-butyl4-sulfanylbutanoateSCHEMBL6738495SCHEMBL6738496EN300-2170907
Database identifiers
- CAS
59854-15-8- PubChem CID
- 57258558
- EC Number
- 958-660-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…