Basic information
- CAS
88466-20-0- Standard SMILES
S=c1[nH]nc(-c2cccc(Br)c2)o1- InChIKey
WZMCNMSXIKEYTO-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2OS
- Average molar mass
- 257.11 g/mol
- Monoisotopic mass
- 255.9306
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-1,3,4-oxadiazole-2-thiol
- IUPAC
- 5-(3-bromophenyl)-3H-1,3,4-oxadiazole-2-thione
- English name
- 5-(3-Bromophenyl)-1,3,4-oxadiazole-2-thiol
- Molecular formula
- C8H5BrN2OS
- Molecular weight
- 257.11
Names & synonyms
5-(3-bromophenyl)-1,3,4-oxadiazole-2-thiol88466-20-0DTXSID10355255RefChem:299648DTXCID803063155-(3-Bromophenyl)-1,3,4-oxadiazole-2(3H)-thione5-(3-bromophenyl)-3H-1,3,4-oxadiazole-2-thioneMLS000085023SMR0000193695-(3-Bromo-phenyl)-3H-[1,3,4]oxadiazole-2-thione1,3,4-Oxadiazole-2(3H)-thione, 5-(3-bromophenyl)-ChemDiv2_000787
Show more names
AKOS TOT-0388ASISCHEM D51146
cid_794839CHEMBL1321356REGID_for_CID_794839SCHEMBL28641829SCHEMBL29811020BDBM42702HMS1371D17HMS2378F13
Database identifiers
- CAS
88466-20-0- PubChem CID
- 794839
- DTXSID
DTXSID10355255- ChEMBL
CHEMBL1321356- Nikkaji
- J920.508J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 307 · 307.0±44.0 °C(Predicted)
- Density
- 1.81 · 1.81±0.1 g/cm3(Predicted)
- pka
- 4.26 · 4.26±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-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
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
菏泽书颖生物科技有限公司18553078733 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…