2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran

C10H12OS — CID 12872573

IUPAC2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
SMILESCSCC1Cc2ccccc2O1
InChIInChI=1S/C10H12OS/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-5,9H,6-7H2,1H3
InChIKeyKLILPDVVTZYTRP-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.35
Rot. Bonds2

About 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran

2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran (PubChem CID 12872573) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
PubChem CID12872573
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
SMILESCSCC1Cc2ccccc2O1
InChIInChI=1S/C10H12OS/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-5,9H,6-7H2,1H3
InChIKeyKLILPDVVTZYTRP-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
CID 66365412
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
3-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)butanoic acid
CID 66348378
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
CID 7071467
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran (CID 12872573) is 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran is CSCC1Cc2ccccc2O1.
What is the InChIKey of 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is KLILPDVVTZYTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-12-7-9-6-8-4-2-3-5-10(8)11-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran?
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 180.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 12872573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).