5-(4-Methylphenyl)-1,2,4-thiadiazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
175205-59-1- Standard SMILES
Cc1ccc(-c2ncns2)cc1- InChIKey
AMMKYYUZGBXXKP-UHFFFAOYSA-N- Molecular formula
- C9H8N2S
- Average molar mass
- 176.24 g/mol
- Monoisotopic mass
- 176.04081944
Names & identifiers
- Preferred name
- 5-(4-Methylphenyl)-1,2,4-thiadiazole
- IUPAC
- 5-(4-methylphenyl)-1,2,4-thiadiazole
- English name
- 5-(4-METHYLPHENYL)-1,2,4-THIADIAZOLE
- Molecular formula
- C9H8N2S
- Molecular weight
- 176.24
Names & synonyms
5-(4-methylphenyl)-1,2,4-thiadiazole175205-59-1DTXSID70372327RefChem:300048DTXCID703233595-(p-Tolyl)-1,2,4-thiadiazoleHMS562D18Maybridge1_007300MLS000860144orb3031519SCHEMBL9239413CHEMBL1702109
Show more names
1,2,4-Thiadiazole, 5-(4-methylphenyl)-
HMS2793I24Fr12292CCG-53244SBB089188AKOS005198960SMR000460923DB-004660SR-01000642420-1
Database identifiers
- CAS
175205-59-1- PubChem CID
- 2739677
- DTXSID
DTXSID70372327- ChEMBL
CHEMBL1702109
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 61 °C · 61 °C
- Boiling point
- 295.4 · 295.4±33.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 0.38 · 0.38±0.30(Predicted)
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Harmful
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- risk_code
- 36
- hazard_note
- Harmful
- safety_code
- 26
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…