5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
Basic information
- CAS
313699-39-7- Standard SMILES
COc1ccc(Cl)cc1-c1n[nH]c(=S)o1- InChIKey
FOBNNSSNVSMNMG-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O2S
- Average molar mass
- 242.68 g/mol
- Monoisotopic mass
- 241.9916763
Overview
5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
- IUPAC
- 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Names & synonyms
5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione6079-50-1DTXSID30351476RefChem:300129DTXCID10302542313699-39-75-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thioneMLS000061371SMR000070630CBMicro_010811cid_701063CHEMBL1374054
Show more names
BDBM42817CHEBI:113001FOBNNSSNVSMNMG-UHFFFAOYSA-NHMS2328F08SMSF0013604CCG-21123STK696460AKOS001676795
Database identifiers
- CAS
313699-39-7、6079-50-1- PubChem CID
- 701063
- DTXSID
DTXSID30351476- ChEMBL
CHEMBL1374054- ChEBI
CHEBI:113001
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…