Basic information
- CAS
1248620-78-1- Standard SMILES
CCNCCSc1nncn1C- InChIKey
SDYIRZAKUPWZIU-UHFFFAOYSA-N- Molecular formula
- C7H14N4S
- Average molar mass
- 186.28 g/mol
- Monoisotopic mass
- 186.09391764
Names & identifiers
- Preferred name
- ethyl({2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})amine
- IUPAC
- N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
Names & synonyms
1248620-78-1ethyl({2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl})amineAKOS010645292EN300-242672
Database identifiers
- CAS
1248620-78-1- PubChem CID
- 61386353
- EC Number
- 173-785-1
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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