5-(1H-indol-3-yl)-1,3,4-oxadiazole-2-thiol
Basic information
- CAS
379725-80-1- Standard SMILES
S=c1[nH]nc(-c2c[nH]c3ccccc23)o1- InChIKey
UVHFDWVKCUDWIL-UHFFFAOYSA-N- Molecular formula
- C10H7N3OS
- Average molar mass
- 217.25 g/mol
- Monoisotopic mass
- 217.03098303
Names & identifiers
- Preferred name
- 5-(1H-indol-3-yl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(1H-indol-3-yl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(1H-INDOL-3-YL)-[1,3,4]OXADIAZOLE-2-THIOL
- Molecular formula
- C10H7N3OS
- Molecular weight
- 217.25
Names & synonyms
379725-80-15-(1H-indol-3-yl)-1,3,4-oxadiazole-2-thiol5-(1H-Indol-3-yl)-[1,3,4]oxadiazole-2-thiol5-(1H-Indol-3-yl)-1,3,4-oxadiazole-2(3H)-thione5-(1H-INDOL-3-YL)-3H-1,3,4-OXADIAZOLE-2-THIONEMFCD03965935Oprea1_705432MLS001172661CHEMBL1501337DTXSID401333727HMS2854L09EQA72580
Show more names
AKOS000122019AKOS000678611AKOS032963933SMR0005894215-indol-3-yl-1,3,4-oxadiazoline-2-thioneCS-0219147ST50340257EN300-03212
Database identifiers
- CAS
379725-80-1- PubChem CID
- 2344992
- DTXSID
DTXSID401333727- ChEMBL
CHEMBL1501337
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
Experimental & physicochemical properties
Solubility27.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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