Basic information
- CAS
1649454-78-3- Standard SMILES
CCS(=O)(=O)c1ccc(C#N)nc1- InChIKey
IFEKGMOFZSQNNI-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2S
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.03064868
Names & identifiers
- Preferred name
- 5-(Ethylsulfonyl)picolinonitrile
- IUPAC
- 5-ethylsulfonylpyridine-2-carbonitrile
- English name
- 5-(ethylsulfonyl)picolinonitrile
- Molecular formula
- C8H8N2O2S
- Molecular weight
- 196.23
Names & synonyms
5-(ethylsulfonyl)picolinonitrile1649454-78-32-Pyridinecarbonitrile, 5-(ethylsulfonyl)-5-ethylsulfonylpyridine-2-carbonitrileMFCD290498415-(ethanesulfonyl)pyridine-2-carbonitrile5-(Ethylsulfonyl)pyridine-2-carbonitrileSCHEMBL16441564EOS-61901AKOS0274239555-(Ethylsulfonyl)-2-pyridinecarbonitrileAS-65457
Show more names
SY334030DB-1680475-(ethylsulfonyl)picolinonitrile(WXC08941)F865745A1-42124
Database identifiers
- CAS
1649454-78-3- PubChem CID
- 101043836
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
宁波苯康基石医药科技有限公司15990591583
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
德州博腾精细化工有限公司[email protected]
上海智乾生物科技有限公司[email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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