1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
Basic information
- CAS
66178-72-1- Standard SMILES
Cc1cccc(OCc2n[nH]c(=S)o2)c1- InChIKey
BKXGWMZQIKEMTN-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
- IUPAC
- 5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-m-Tolyloxymethyl-[1,3,4]oxadiazole-2-thiol
- Molecular formula
- C10H10N2O2S
- Molecular weight
- 222.26
Names & synonyms
66178-72-11,3,4-OXADIAZOLE-2-THIOL, 5-(m-TOLYLOXYMETHYL)-5-(m-Tolyloxymethyl)-1,3,4-oxadiazole-2-thiolDTXSID80216364RefChem:216995DTXCID801388555-(3-methylphenoxymethyl)-1,3,4-oxadiazole-2-thiol5-m-Tolyloxymethyl-[1,3,4]oxadiazole-2-thiol5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole-2-thiol5-m-Tolyloxymethyl-3H-[1,3,4]oxadiazole-2-thioneMLS000073727
Show more names
1,3,4-Oxadiazole-2(3H)-thione, 5-[(3-methylphenoxy)methyl]-
CHEMBL1303091HMS2417G15RCA17872AKOS000295800AKOS000574274SMR000010654CS-0219484ST50253830
Database identifiers
- CAS
66178-72-1- PubChem CID
- 2901686
- DTXSID
DTXSID80216364- ChEMBL
CHEMBL1303091- EC Number
- 191-880-6
- Nikkaji
- J64.541I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
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Compound notes
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