2-[(2-methylsulfanylphenyl)methyl]furan

C12H12OS — CID 21387627

IUPAC2-[(2-methylsulfanylphenyl)methyl]furan
SMILESCSc1ccccc1Cc1ccco1
InChIInChI=1S/C12H12OS/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8H,9H2,1H3
InChIKeyJKLNATWCSYCABJ-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.59
Rot. Bonds3

About 2-[(2-methylsulfanylphenyl)methyl]furan

2-[(2-methylsulfanylphenyl)methyl]furan (PubChem CID 21387627) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-[(2-methylsulfanylphenyl)methyl]furan.

Molecular Properties

Compound Name2-[(2-methylsulfanylphenyl)methyl]furan
PubChem CID21387627
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-[(2-methylsulfanylphenyl)methyl]furan
SMILESCSc1ccccc1Cc1ccco1
InChIInChI=1S/C12H12OS/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8H,9H2,1H3
InChIKeyJKLNATWCSYCABJ-UHFFFAOYSA-N
XLogP3.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43683353
N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
2-ethyl-3-(furan-2-ylmethyl)pyridine
CID 173468661
2-[(2-azidophenyl)methyl]furan
CID 142763610
2-[(2-benzyl-3-butan-2-ylphenyl)methyl]furan
CID 173340637
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
2-(2-methylsulfanylethyl)furan
CID 45489970
furan-2-ylmethanol;2-propan-2-ylsulfanylpropane
CID 174913675
2-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 63000314
2-(furan-2-ylmethyl)-6-prop-1-en-2-ylphenol
CID 142016234
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylphenyl)methyl]furan?
The IUPAC name of 2-[(2-methylsulfanylphenyl)methyl]furan (CID 21387627) is 2-[(2-methylsulfanylphenyl)methyl]furan.
What is the SMILES notation for 2-[(2-methylsulfanylphenyl)methyl]furan?
The canonical SMILES for 2-[(2-methylsulfanylphenyl)methyl]furan is CSc1ccccc1Cc1ccco1.
What is the InChIKey of 2-[(2-methylsulfanylphenyl)methyl]furan?
The InChIKey is JKLNATWCSYCABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-14-12-7-3-2-5-10(12)9-11-6-4-8-13-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-methylsulfanylphenyl)methyl]furan?
2-[(2-methylsulfanylphenyl)methyl]furan has a molecular weight of 204.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylphenyl)methyl]furan is sourced from PubChem (CID 21387627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).