Basic information
- CAS
169304-24-9- Standard SMILES
CCOC(=O)CSc1nnc(-c2ccccc2)n1N- InChIKey
CKWVHOSZLVUOMH-UHFFFAOYSA-N- Molecular formula
- C12H14N4O2S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.08374688
Names & identifiers
- Preferred name
- ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
- IUPAC
- ethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
- English name
- Acetic acid, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, ethyl ester
- Molecular formula
- C12H14N4O2S
- Molecular weight
- 278.33
Names & synonyms
169304-24-9ethyl 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetateethyl 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate(4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid ethyl esterAKOS00225901010G-400SST50203241SR-01000081445SR-01000081445-1ethyl 2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetateEthyl 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetateethyl2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Show more names
Acetic acid, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, ethyl ester
ETHYL ((4-AMINO-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE
Database identifiers
- CAS
169304-24-9
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 172 · 172-173 °C
- Boiling point
- 487.1 · 487.1±47.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 1.03 · 1.03±0.10(Predicted)
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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