Basic information
- CAS
115903-57-6- Standard SMILES
S=c1[nH]nc(-c2ccc(Cl)s2)o1- InChIKey
WWBZXJCBUXONMV-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2OS2
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 217.9375328
Names & identifiers
- Preferred name
- 5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione
- IUPAC
- 5-(5-chlorothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(5-Chloro-2-thienyl)-1,3,4-oxadiazole-2-thiol
- Molecular formula
- C6H3ClN2OS2
- Molecular weight
- 218.68
Names & synonyms
115903-57-6DTXSID906494875-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thioneRefChem:300135DTXCID106002375-(5-chloro-2-thienyl)-1,3,4-oxadiazole-2-thiol5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazole-2-thiol5-(5-chlorothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thioneF2146-0016C6H3ClN2OS21,3,4-Oxadiazole-2(3H)-thione, 5-(5-chloro-2-thienyl)-SCHEMBL16122932
Show more names
WWBZXJCBUXONMV-UHFFFAOYSA-NSMSSF-0017482QEA90357STK409536AKOS002324286AKOS008153174ST50814407EN300-84822
Database identifiers
- CAS
115903-57-6- PubChem CID
- 25252563
- DTXSID
DTXSID90649487
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 289.5 · 289.5±50.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.81 · 3.81±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
MATRIX[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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