Basic information
- CAS
303105-82-0- Standard SMILES
CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(OC)cc1- InChIKey
YZWQTMKQSUUWOI-STBIYBPSSA-N- Molecular formula
- C28H28N6O2S
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.19944533
Names & identifiers
- Preferred name
- N'-[(E)-(9-Ethyl-9H-carbazol-3-YL)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetohydrazide
- IUPAC
- N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- N'-[(9-ethyl-9H-carbazol-3-yl)methylene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
- Molecular formula
- C28H28N6O2S
- Molecular weight
- 512.63
Names & synonyms
303105-82-0N'-[(E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE]-2-{[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDEN'-((E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE)-2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDERefChem:819924652-543-3N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideAKOS001024103AF-399/14139041Z56796719N'-[(9-ethyl-9H-carbazol-3-yl)methylene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Database identifiers
- CAS
303105-82-0- PubChem CID
- 6873151
- EC Number
- 652-543-3
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 778
Physicochemical properties
- Density
- 1.294 · 1.294±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.559 · 11.559±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H413-H319
- 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 38 reports by companies from 1 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
- H315-H335-H413-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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