1-((5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl)pyrrolidin-2-one
Basic information
- CAS
160758-18-9- Standard SMILES
O=C1CCCN1Cc1n[nH]c(=S)o1- InChIKey
KEFULOLFGBVEJN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.04154771
Names & identifiers
- Preferred name
- 1-((5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl)pyrrolidin-2-one
- IUPAC
- 1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
Names & synonyms
160758-18-91-[(5-sulfanyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one1-((5-Sulfanyl-1,3,4-oxadiazol-2-yl)methyl)pyrrolidin-2-oneRefChem:418760899-762-21-[(5-mercapto-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-one1-((5-Mercapto-1,3,4-oxadiazol-2-yl)methyl)pyrrolidin-2-one1-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]pyrrolidin-2-oneSCHEMBL22528837KGA75818AKOS005198890CS-0230606
Show more names
EN300-10474Z563473631-[(2-thioxo-3H-1,3,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
Database identifiers
- CAS
160758-18-9- PubChem CID
- 2513435
- EC Number
- 899-762-2
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 289
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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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