Basic information
- CAS
14668-29-2- Standard SMILES
CC(C)(C#N)S(C)(=O)=O- InChIKey
MPXOEOMIERYCLI-UHFFFAOYSA-N- Molecular formula
- C5H9NO2S
- Average molar mass
- 147.2 g/mol
- Monoisotopic mass
- 147.03539953
Names & identifiers
- Preferred name
- Propanenitrile, 2-methyl-2-(methylsulfonyl)-
- IUPAC
- 2-methyl-2-methylsulfonylpropanenitrile
- English name
- 2-methyl-2-(methylsulfonyl)propanenitrile
- Molecular formula
- C5H9NO2S
- Molecular weight
- 147.2
Names & synonyms
14668-29-22-Methyl-2-(methylsulfonyl)propanenitrilePropanenitrile, 2-methyl-2-(methylsulfonyl)-DTXSID00163442RefChem:374521DTXCID20859332-Methanesulfonyl-2-methylpropanenitrileMFCD167664572-methyl-2-methylsulfonylpropanenitrileSCHEMBL13278474MPXOEOMIERYCLI-UHFFFAOYSA-NPAA66829
Show more names
2-Methanesulfonyl-2-Methylpropanenitrile(WX630100)
AKOS011762722methyl-2-(methylsulfonyl)propionitrile2-methyl-2-methylsulfonyl-propanenitrileAS-39714SY1251442-(Methanesulfonyl)-2-methylpropanenitrileDB-150070CS-0046954
Database identifiers
- CAS
14668-29-2- PubChem CID
- 3014848
- DTXSID
DTXSID00163442- Nikkaji
- J1.448.967C
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 316.4 · 316.4±25.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
济南知行医药科技有限公司13853152953 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海京河医药科技有限公司21-13482015261-883 13482015261 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
Related reactions
4 records
Compound notes
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