sodium;hydride;4-methylsulfanylbutan-2-one

C5H11NaOS — CID 175274491

IUPACsodium;hydride;4-methylsulfanylbutan-2-one
SMILESCSCCC(C)=O.[H-].[Na+]
InChIInChI=1S/C5H10OS.Na.H/c1-5(6)3-4-7-2;;/h3-4H2,1-2H3;;/q;+1;-1
InChIKeyGZZJGMROIHGJSK-UHFFFAOYSA-N
MW142.20 g/mol
LogP-1.55
Rot. Bonds3

About sodium;hydride;4-methylsulfanylbutan-2-one

sodium;hydride;4-methylsulfanylbutan-2-one (PubChem CID 175274491) has the molecular formula C5H11NaOS and a molecular weight of 142.20 g/mol. Its IUPAC name is sodium;hydride;4-methylsulfanylbutan-2-one.

Molecular Properties

Compound Namesodium;hydride;4-methylsulfanylbutan-2-one
PubChem CID175274491
Molecular FormulaC5H11NaOS
Molecular Weight142.20 g/mol
Exact Mass142.04
IUPAC Namesodium;hydride;4-methylsulfanylbutan-2-one
SMILESCSCCC(C)=O.[H-].[Na+]
InChIInChI=1S/C5H10OS.Na.H/c1-5(6)3-4-7-2;;/h3-4H2,1-2H3;;/q;+1;-1
InChIKeyGZZJGMROIHGJSK-UHFFFAOYSA-N
XLogP-1.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylsulfanylethylsulfanyl)butan-2-one
CID 130647594
sodium 4-methylsulfanyl-2-oxobutan-1-olate
CID 87390153
1-methylsulfanyldodecane;undecan-2-one
CID 159667099
hexane-2,5-dione
CID 8035
ethane;N-methyl-3-methylsulfanylpropanamide
CID 143646682
4-(3-hydroxybut-3-enylsulfanyl)butan-2-one
CID 138535754
[methyl(3-methylsulfanylpropanoyl)amino] acetate
CID 89286042
hexahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105-tripentacontayne;4-methylsulfanylbutan-2-one;1-(3-oxobutyl)pyrrole-2,5-dione
CID 167621284
2-methyl-N-(2-methylprop-2-enoyl)-N-(3-methylsulfanylpropanoyl)prop-2-enamide
CID 139970761
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
sodium 14-methylsulfanyltetradecanoate
CID 102013140
sodium;hydride;tetradecane-2,5,8,11-tetrone
CID 174954679

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methylsulfanylbutan-2-one?
The IUPAC name of sodium;hydride;4-methylsulfanylbutan-2-one (CID 175274491) is sodium;hydride;4-methylsulfanylbutan-2-one.
What is the SMILES notation for sodium;hydride;4-methylsulfanylbutan-2-one?
The canonical SMILES for sodium;hydride;4-methylsulfanylbutan-2-one is CSCCC(C)=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methylsulfanylbutan-2-one?
The InChIKey is GZZJGMROIHGJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS.Na.H/c1-5(6)3-4-7-2;;/h3-4H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;hydride;4-methylsulfanylbutan-2-one?
sodium;hydride;4-methylsulfanylbutan-2-one has a molecular weight of 142.20 g/mol, XLogP of -1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methylsulfanylbutan-2-one is sourced from PubChem (CID 175274491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).