Basic information
- CAS
303107-27-9- Standard SMILES
CCNC(=S)/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1- InChIKey
TZMKBESBYLOTAC-CVKSISIWSA-N- Molecular formula
- C24H28N6OS2
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 480.17660188
Names & identifiers
- Preferred name
- (2E)-2-[({[5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-YL]sulfanyl}acetyl)hydrazono]-N-ethylethanethioamide
- IUPAC
- 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(ethylamino)-2-sulfanylideneethylidene]amino]acetamide
- English name
- (2E)-2-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]-N-ethylethanethioamide
- Molecular formula
- C24H28N6OS2
- Molecular weight
- 480.64872
Names & synonyms
303107-27-9(2E)-2-((((5-(4-TERT-BUTYLPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETYL)HYDRAZONO)-N-ETHYLETHANETHIOAMIDE(2E)-2-[({[5-(4-Tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-YL]sulfanyl}acetyl)hydrazono]-N-ethylethanethioamideRefChem:396308652-665-72-(2-(2-((5-(4-(tert-Butyl)phenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)-N-ethylethanethioamideAKOS024424230(2E)-2-[({[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetyl)hydrazono]-N-ethylethanethioamide(2E)-2-[(2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]-N-ethylethanethioamide
Database identifiers
- CAS
303107-27-9- PubChem CID
- 9656124
- EC Number
- 652-665-7
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 668
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-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]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, 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-H413-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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