1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone
Basic information
- CAS
300772-46-7- Standard SMILES
COc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1OC- InChIKey
LQKNJEUIJXRSJC-UHFFFAOYSA-N- Molecular formula
- C17H16N4O3S
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.09431156
Names & identifiers
- Preferred name
- 1-(3,4-Dimethoxyphenyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)ethanone
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Names & synonyms
1-(3,4-DIMETHOXYPHENYL)-2-((1-PHENYL-1H-TETRAAZOL-5-YL)THIO)ETHANONE300772-46-7AKOS001058607WAY-601274ST50053612Z196561951-(3,4-dimethoxyphenyl)-2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethan-1-one
Database identifiers
- CAS
300772-46-7- PubChem CID
- 987649
- EC Number
- 140-132-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
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, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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