butyl-methyl-methylidene-oxo-λ6-sulfane

C6H14OS — CID 87419750

IUPACbutyl-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)CCCC
InChIInChI=1S/C6H14OS/c1-4-5-6-8(2,3)7/h2,4-6H2,1,3H3
InChIKeyJGRMARZBZHMNFU-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.13
Rot. Bonds3

About butyl-methyl-methylidene-oxo-λ6-sulfane

butyl-methyl-methylidene-oxo-λ6-sulfane (PubChem CID 87419750) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is butyl-methyl-methylidene-oxo-λ6-sulfane.

Molecular Properties

Compound Namebutyl-methyl-methylidene-oxo-λ6-sulfane
PubChem CID87419750
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Namebutyl-methyl-methylidene-oxo-λ6-sulfane
SMILESC=S(C)(=O)CCCC
InChIInChI=1S/C6H14OS/c1-4-5-6-8(2,3)7/h2,4-6H2,1,3H3
InChIKeyJGRMARZBZHMNFU-UHFFFAOYSA-N
XLogP1.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

butane-1-sulfonic acid;sulfane
CID 174687882
CID 172853428
CID 172853428
CID 172750944
CID 172750944
sodium;butane-1-sulfonic acid;hydroxide
CID 175272255
heptane;methylsulfonylmethane
CID 176706405
lithium butylsulfonylazanide
CID 141349237
lithium butane-1-sulfonate
CID 23684871
1-ethylsulfonylsulfonylbutane
CID 141390802
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
butylsulfonylchloranium
CID 20752756
bis(butane-1-sulfonic acid);propane-1,3-diol
CID 87128692
1-[butylsulfonyl(oxido)azaniumyl]sulfonylpentane
CID 163844133

Frequently Asked Questions

What is the IUPAC name of butyl-methyl-methylidene-oxo-λ6-sulfane?
The IUPAC name of butyl-methyl-methylidene-oxo-λ6-sulfane (CID 87419750) is butyl-methyl-methylidene-oxo-λ6-sulfane.
What is the SMILES notation for butyl-methyl-methylidene-oxo-λ6-sulfane?
The canonical SMILES for butyl-methyl-methylidene-oxo-λ6-sulfane is C=S(C)(=O)CCCC.
What is the InChIKey of butyl-methyl-methylidene-oxo-λ6-sulfane?
The InChIKey is JGRMARZBZHMNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-4-5-6-8(2,3)7/h2,4-6H2,1,3H3.
What are the key properties of butyl-methyl-methylidene-oxo-λ6-sulfane?
butyl-methyl-methylidene-oxo-λ6-sulfane has a molecular weight of 134.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-methylidene-oxo-λ6-sulfane is sourced from PubChem (CID 87419750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).