3-(2-(Cyclopentylsulfanyl)pyridin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
Basic information
- CAS
1385430-75-0- Standard SMILES
Cc1csc(C(C#N)C(=O)c2cccnc2SC2CCCC2)n1- InChIKey
OQBWIQUUCOFLBO-UHFFFAOYSA-N- Molecular formula
- C17H17N3OS2
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.08130452
Names & identifiers
- Preferred name
- 3-(2-(Cyclopentylsulfanyl)pyridin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
- IUPAC
- 3-(2-cyclopentylsulfanyl-3-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
Names & synonyms
1385430-75-03-[2-(CYCLOPENTYLSULFANYL)PYRIDIN-3-YL]-2-(4-METHYL-1,3-THIAZOL-2-YL)-3-OXOPROPANENITRILE3-(2-(Cyclopentylsulfanyl)pyridin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrileRefChem:490514888-878-9AKOS0169220183-(2-(Cyclopentylthio)pyridin-3-yl)-2-(4-methylthiazol-2-yl)-3-oxopropanenitrileEN300-39046719Z1197110815
Database identifiers
- CAS
1385430-75-0- PubChem CID
- 72015016
- EC Number
- 888-878-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
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, P317, 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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