Basic information
- CAS
370855-34-8- Standard SMILES
COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C- InChIKey
VHILZAPMAFFGCD-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3OS
- Average molar mass
- 255.72 g/mol
- Monoisotopic mass
- 255.0233108
Names & identifiers
- Preferred name
- 5-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
- English name
- AKOS B017986
- Molecular formula
- C10H10ClN3OS
- Molecular weight
- 255.72
Names & synonyms
370855-34-85-(5-chloro-2-methoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiolDTXSID00351488RefChem:300132DTXCID80302554MFCD037999423-(5-chloro-2-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione5-(5-chloro-2-methoxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneAKOS B017986MLS000534024CHEMBL1372287HMS2274N23
Show more names
EU-0012672IVK/1416515SMR000141460ZINC00082860ZINC01301987A2961/0124718BUTTPARK 83\07-41
5-(5-chloro-2-methoxyphenyl)-4-methyl-1,2,4-triazole-3-thiolALBB-003285BBL016244SBB021705STK349478STK795515AKOS000307498AKOS000347408
Database identifiers
- CAS
370855-34-8- PubChem CID
- 701673
- DTXSID
DTXSID00351488
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 356.3 · 356.3±52.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 8.41 · 8.41±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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