Basic information
- CAS
1006432-73-0- Standard SMILES
O=C1CCCN1Cc1nnc([S-])n1CCCN1CCOCC1.[K+]- InChIKey
RRYAMLDZZDCBMR-UHFFFAOYSA-N- Molecular formula
- C14H22KN5O2S
- Average molar mass
- 363.52 g/mol
- Monoisotopic mass
- 363.11312762
Names & identifiers
- Preferred name
- potassium {4-[3-(morpholin-4-yl)propyl]-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanide
- IUPAC
- potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolate
- English name
- Potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazole-3-thiolate
- Molecular formula
- C14H23N5O2S.K
- Molecular weight
- 364.53
Names & synonyms
1006432-73-0potassium {4-[3-(morpholin-4-yl)propyl]-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanidepotassium (4-(3-(morpholin-4-yl)propyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazol-3-yl)sulfanideRefChem:867425100-490-7potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazole-3-thiolatePotassium 4-(3-morpholinopropyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazole-3-thiolatepotassium;4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolatePotassium 4-(3-Morpholinopropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazole-3-thiolateMFCD06674582AKOS027427042SY148199
Show more names
4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolatepotassium:4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolate1-((4-(3-morpholinopropyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)pyrrolidin-2-one, potassium salt
Properties
Computed structural properties
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
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%)
Chemistry & industry
Suppliers4 total
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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