butan-2-ylidene(dimethyl)-λ4-sulfane

C6H14S — CID 123702487

IUPACbutan-2-ylidene(dimethyl)-λ4-sulfane
SMILESCCC(C)=S(C)C
InChIInChI=1S/C6H14S/c1-5-6(2)7(3)4/h5H2,1-4H3
InChIKeyWOJHWVBQFKXHDO-UHFFFAOYSA-N
MW118.24 g/mol
LogP2.12
Rot. Bonds1

About butan-2-ylidene(dimethyl)-λ4-sulfane

butan-2-ylidene(dimethyl)-λ4-sulfane (PubChem CID 123702487) has the molecular formula C6H14S and a molecular weight of 118.24 g/mol. Its IUPAC name is butan-2-ylidene(dimethyl)-λ4-sulfane.

Molecular Properties

Compound Namebutan-2-ylidene(dimethyl)-λ4-sulfane
PubChem CID123702487
Molecular FormulaC6H14S
Molecular Weight118.24 g/mol
Exact Mass118.08
IUPAC Namebutan-2-ylidene(dimethyl)-λ4-sulfane
SMILESCCC(C)=S(C)C
InChIInChI=1S/C6H14S/c1-5-6(2)7(3)4/h5H2,1-4H3
InChIKeyWOJHWVBQFKXHDO-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-ylidene(dimethyl)-λ4-sulfane?
The IUPAC name of butan-2-ylidene(dimethyl)-λ4-sulfane (CID 123702487) is butan-2-ylidene(dimethyl)-λ4-sulfane.
What is the SMILES notation for butan-2-ylidene(dimethyl)-λ4-sulfane?
The canonical SMILES for butan-2-ylidene(dimethyl)-λ4-sulfane is CCC(C)=S(C)C.
What is the InChIKey of butan-2-ylidene(dimethyl)-λ4-sulfane?
The InChIKey is WOJHWVBQFKXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-5-6(2)7(3)4/h5H2,1-4H3.
What are the key properties of butan-2-ylidene(dimethyl)-λ4-sulfane?
butan-2-ylidene(dimethyl)-λ4-sulfane has a molecular weight of 118.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylidene(dimethyl)-λ4-sulfane is sourced from PubChem (CID 123702487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).