Basic information
- CAS
478257-83-9- Standard SMILES
COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cccc3ccccc23)c1- InChIKey
WSBRESIYNWPVBX-FYJGNVAPSA-N- Molecular formula
- C20H16N4OS
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.10448232
Names & identifiers
- Preferred name
- 5-(3-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(3-methoxyphenyl)-4-[(E)-naphthalen-1-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L232165-1EA
- Molecular formula
- C20H16N4OS
- Molecular weight
- 360.43
Names & synonyms
478257-83-9RefChem:5299695-(3-Methoxyphenyl)-4-((1-naphthylmethylene)amino)-4H-1,2,4-triazole-3-thiol646-778-05-(3-Methoxyphenyl)-4-((naphthalen-1-ylmethylene)amino)-4H-1,2,4-triazole-3-thiolAKOS001059895ST50065779Z569603634-((1E)-2-naphthyl-1-azavinyl)-5-(3-methoxyphenyl)-1,2,4-triazole-3-thiol5-(3-methoxyphenyl)-4-{[(E)-1-naphthylmethylidene]amino}-4H-1,2,4-triazole-3-thiolSALOR-INT L232165-1EA
Database identifiers
- CAS
478257-83-9- PubChem CID
- 6905967
- EC Number
- 646-778-0
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 531.002 · 531.002±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.289 · 1.289±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.769 · 8.769±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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