Basic information
- CAS
503012-66-6- Standard SMILES
Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1- InChIKey
SXQBZCPLDIXPDK-UHFFFAOYSA-N- Molecular formula
- C16H15N5O2S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.09464591
Names & identifiers
- Preferred name
- 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
- IUPAC
- 2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
- English name
- 2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
- Molecular formula
- C16H15N5O2S
- Molecular weight
- 341.39
Names & synonyms
503012-66-62-(1-methyltetrazol-5-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide2-((1-Methyl-1h-tetrazol-5-yl)thio)-N-(4-phenoxyphenyl)acetamide2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(4-phenoxyphenyl)acetamideSMR000076272CBKinase1_006031CBKinase1_018431Oprea1_285573MLS000064248MLS002546411CHEMBL1545253
Show more names
2-((1-METHYL-1H-TETRAAZOL-5-YL)THIO)-N-(4-PHENOXYPHENYL)ACETAMIDEAcetamide, 2-[(1-methyl-1H-tetrazol-5-yl)thio]-N-(4-phenoxyphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide
HMS2356A12STK134488AKOS000639949JS-20172-[(1-methyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamideCS-0300579BRD-K18933981-001-01-8Z18520572
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
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%)
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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