Basic information
- CAS
565166-68-9- Standard SMILES
CCNc1nc(NCC)n2c(SCC(=O)O)nnc2n1- InChIKey
IARFUFXANITCAE-UHFFFAOYSA-N- Molecular formula
- C10H15N7O2S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.10079392
Names & identifiers
- Preferred name
- 2-((Bis(ethylamino)-(1,2,4)triazolo(4,3-a)(1,3,5)triazin-3-yl)sulfanyl)acetic acid
- IUPAC
- 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acid
Names & synonyms
2-{[bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}acetic acid2-[[5,7-Bis(ethylamino)-1,2,4-triazolo[4,3-a][1,3,5]triazin-3-yl]thio]acetic acid2-((5,7-Bis(ethylamino)-1,2,4-triazolo(4,3-a)(1,3,5)triazin-3-yl)thio)acetic acid2-((Bis(ethylamino)-(1,2,4)triazolo(4,3-a)(1,3,5)triazin-3-yl)sulfanyl)acetic acidRefChem:449808845-798-9565166-68-9(5,7-Bis-ethylamino-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-ylsulfanyl)-acetic acid2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]acetic acidC10H15N7O2SSMR000066312MLS000060721
Show more names
CHEMBL1516760DTXSID701132625HMS2167F05HMS3317F16SBB038497AKOS000266768CS-0218425EN300-00924
Database identifiers
- CAS
565166-68-9- PubChem CID
- 2392367
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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