4-(Diethylamino)benzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-YL]hydrazone
Basic information
- CAS
624725-01-5- Standard SMILES
CCOc1ccc(-c2n[nH]c(=S)n2N/N=C/c2ccc(N(CC)CC)cc2)cc1- InChIKey
INWMRGTTZSHYGM-PXLXIMEGSA-N- Molecular formula
- C21H26N6OS
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18888065
Names & identifiers
- Preferred name
- 4-(Diethylamino)benzaldehyde [3-(4-ethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-YL]hydrazone
- IUPAC
- 4-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L418242-1EA
- Molecular formula
- C21H26N6OS
- Molecular weight
- 410.54
Names & synonyms
4-(DIETHYLAMINO)BENZALDEHYDE [3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL]HYDRAZONE4-(DIETHYLAMINO)BENZALDEHYDE (3-(4-ETHOXYPHENYL)-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)HYDRAZONERefChem:515786624725-01-5638-380-0AKOS002269990ST501775364-({(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}amino)-5-(4-ethoxyphenyl)-1,2,4 -triazole-3-thiolSALOR-INT L418242-1EA
Database identifiers
- CAS
624725-01-5- PubChem CID
- 16447992
- EC Number
- 638-380-0
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 538.47 · 538.470±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.215 · 1.215±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.068 · 9.068±0.20(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…