furan-3-ylmethyl-methyl-methylidene-λ4-sulfane

C7H10OS — CID 123544669

IUPACfuran-3-ylmethyl-methyl-methylidene-λ4-sulfane
SMILESC=S(C)Cc1ccoc1
InChIInChI=1S/C7H10OS/c1-9(2)6-7-3-4-8-5-7/h3-5H,1,6H2,2H3
InChIKeyBWSUUJSOAMGYPO-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.11
Rot. Bonds2

About furan-3-ylmethyl-methyl-methylidene-λ4-sulfane

furan-3-ylmethyl-methyl-methylidene-λ4-sulfane (PubChem CID 123544669) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is furan-3-ylmethyl-methyl-methylidene-λ4-sulfane.

Molecular Properties

Compound Namefuran-3-ylmethyl-methyl-methylidene-λ4-sulfane
PubChem CID123544669
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Namefuran-3-ylmethyl-methyl-methylidene-λ4-sulfane
SMILESC=S(C)Cc1ccoc1
InChIInChI=1S/C7H10OS/c1-9(2)6-7-3-4-8-5-7/h3-5H,1,6H2,2H3
InChIKeyBWSUUJSOAMGYPO-UHFFFAOYSA-N
XLogP2.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.11
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

ethane;3-ethylfuran;formaldehyde
CID 143985249
3-ethylfuran;methanol
CID 174626479
N-(furan-3-ylmethyl)methanimine
CID 154530628
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
3-(ethoxymethyl)furan
CID 59154839
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
3-[chloro(dideuterio)methyl]furan
CID 169436301
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1-(furan-3-yl)butan-2-ol
CID 83171486

Frequently Asked Questions

What is the IUPAC name of furan-3-ylmethyl-methyl-methylidene-λ4-sulfane?
The IUPAC name of furan-3-ylmethyl-methyl-methylidene-λ4-sulfane (CID 123544669) is furan-3-ylmethyl-methyl-methylidene-λ4-sulfane.
What is the SMILES notation for furan-3-ylmethyl-methyl-methylidene-λ4-sulfane?
The canonical SMILES for furan-3-ylmethyl-methyl-methylidene-λ4-sulfane is C=S(C)Cc1ccoc1.
What is the InChIKey of furan-3-ylmethyl-methyl-methylidene-λ4-sulfane?
The InChIKey is BWSUUJSOAMGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-9(2)6-7-3-4-8-5-7/h3-5H,1,6H2,2H3.
What are the key properties of furan-3-ylmethyl-methyl-methylidene-λ4-sulfane?
furan-3-ylmethyl-methyl-methylidene-λ4-sulfane has a molecular weight of 142.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-ylmethyl-methyl-methylidene-λ4-sulfane is sourced from PubChem (CID 123544669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).