Basic information
- CAS
478255-21-9- Standard SMILES
CC(C)c1ccc(/C=N/n2c(-c3cccc(Cl)c3)n[nH]c2=S)cc1- InChIKey
KGAFMKOOYKXLGT-RGVLZGJSSA-N- Molecular formula
- C18H17ClN4S
- Average molar mass
- 356.9 g/mol
- Monoisotopic mass
- 356.0862454
Names & identifiers
- Preferred name
- 5-(3-Chlorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(3-chlorophenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
- English name
- SALOR-INT L229946-1EA
- Molecular formula
- C18H17ClN4S
- Molecular weight
- 356.87
Names & synonyms
478255-21-95-(3-Chlorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiolRefChem:529857646-851-7STK571575AKOS002178850AKOS005496755ST50065675(E)-5-(3-chlorophenyl)-4-((4-isopropylbenzylidene)amino)-4H-1,2,4-triazole-3-thiol4-{(1E)-2-[4-(methylethyl)phenyl]-1-azavinyl}-5-(3-chlorophenyl)-1,2,4-triazol e-3-thiol5-(3-chlorophenyl)-4-({(E)-[4-(propan-2-yl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione5-(3-chlorophenyl)-4-{[(E)-(4-isopropylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
Show more names
SALOR-INT L229946-1EA3H-1,2,4-Triazole-3-thione, 5-(3-chlorophenyl)-2,4-dihydro-4-[[[4-(1-methylethyl)phenyl]methylene]amino]-
Database identifiers
- CAS
478255-21-9- PubChem CID
- 6878956
- EC Number
- 646-851-7
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H413-H315-H335-H301
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H413-H315-H335-H301
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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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