Basic information
- CAS
478256-55-2- Standard SMILES
COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1c2ccccc2cc2ccccc12- InChIKey
GMGRBNKNWAMBAZ-MFKUBSTISA-N- Molecular formula
- C24H18N4OS
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.12013238
Names & identifiers
- Preferred name
- 4-((9-Anthrylmethylene)amino)-5-(2-meo-PH)-4H-1,2,4-triazol-3-YL hydrosulfide
- IUPAC
- 4-[(E)-anthracen-9-ylmethylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L231363-1EA
- Molecular formula
- C24H18N4OS
- Molecular weight
- 410.49
Names & synonyms
478256-55-2RefChem:5097024-((9-Anthrylmethylene)amino)-5-(2-meo-PH)-4H-1,2,4-triazol-3-YL hydrosulfide646-705-24-((Anthracen-9-ylmethylene)amino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thioneSTK581685AKOS002172194AKOS0055052724-{[(E)-9-anthrylmethylidene]amino}-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiolST50058947(E)-4-((anthracen-9-ylmethylene)amino)-5-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol4-((1E)-2-(9-anthryl)-1-azavinyl)-5-(2-methoxyphenyl)-1,2,4-triazole-3-thiol
Show more names
SALOR-INT L231363-1EA3H-1,2,4-Triazole-3-thione, 4-[(9-anthracenylmethylene)amino]-2,4-dihydro-5-(2-methoxyphenyl)-
4-{[(E)-anthracen-9-ylmethylidene]amino}-5-(2-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 673
Physicochemical properties
- Boiling point
- 606.765 · 606.765±57.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.302 · 1.302±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.863 · 8.863±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H335-H315-H413-H319
- 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-H335-H315-H413-H319
- 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
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
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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