5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
Basic information
- CAS
69844-25-3- Standard SMILES
COc1ccccc1-c1n[nH]c(=S)o1- InChIKey
DVGHKLUHJSFLIT-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- 5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(2-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-thiol69844-25-35-(2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thioneMFCD046147015-(2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thioneMLS0000613681,3,4-Oxadiazole-2(3H)-thione, 5-(2-methoxyphenyl)-SMR000070627F2146-0004CBMicro_010771ChemDiv2_001145cid_749967
Show more names
AKOS TOT-0404ASISCHEM D13299AKOS BBS-00001422TIMTEC-BB SBB014910CHEMBRDG-BB 40124095-(2-methoxyphenyl)-1,3,4-oxadiazole-2-thiol(SALTDATA: FREE)
CHEMBL1561641SCHEMBL14112949SCHEMBL29811018BDBM42798DTXSID20353722HMS1372G01HMS2344H21SMSSF-0017392
Database identifiers
- CAS
69844-25-3- PubChem CID
- 749967
- DTXSID
DTXSID20353722- ChEMBL
CHEMBL1561641
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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