2-methylsulfanyl-3-propan-2-yl-1-benzofuran

C12H14OS — CID 143138070

IUPAC2-methylsulfanyl-3-propan-2-yl-1-benzofuran
SMILESCSc1oc2ccccc2c1C(C)C
InChIInChI=1S/C12H14OS/c1-8(2)11-9-6-4-5-7-10(9)13-12(11)14-3/h4-8H,1-3H3
InChIKeyOPXCXBRIENNCAY-UHFFFAOYSA-N
MW206.31 g/mol
LogP4.28
Rot. Bonds2

About 2-methylsulfanyl-3-propan-2-yl-1-benzofuran

2-methylsulfanyl-3-propan-2-yl-1-benzofuran (PubChem CID 143138070) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methylsulfanyl-3-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name2-methylsulfanyl-3-propan-2-yl-1-benzofuran
PubChem CID143138070
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-methylsulfanyl-3-propan-2-yl-1-benzofuran
SMILESCSc1oc2ccccc2c1C(C)C
InChIInChI=1S/C12H14OS/c1-8(2)11-9-6-4-5-7-10(9)13-12(11)14-3/h4-8H,1-3H3
InChIKeyOPXCXBRIENNCAY-UHFFFAOYSA-N
XLogP4.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyl-3-propan-2-yl-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenylethyl)-2-[[3-(1-phenylethyl)-1-benzofuran-2-yl]disulfanyl]-1-benzofuran
CID 10029222
2-phenyl-3-propan-2-yl-1-benzofuran
CID 11536007
2-methylsulfanyl-3-[4-(2-methylsulfanyl-1-benzofuran-3-yl)buta-1,3-diynyl]-1-benzofuran
CID 102160337
3-(2-methylsulfanyl-1-benzofuran-3-yl)prop-2-yn-1-ol
CID 102160339
ethane;1-propan-2-yldibenzofuran
CID 142343182
3-methyl-2-(2-methyl-1-benzofuran-3-yl)butan-1-amine
CID 116987428
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
1-[3-(2-methylsulfanyl-1-benzofuran-3-yl)phenyl]ethanone
CID 46915005
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
3-bromo-1-methylsulfanyldibenzofuran
CID 19887832
N-methyl-1-(2-methyl-1-benzofuran-3-yl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 115985745

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-propan-2-yl-1-benzofuran?
The IUPAC name of 2-methylsulfanyl-3-propan-2-yl-1-benzofuran (CID 143138070) is 2-methylsulfanyl-3-propan-2-yl-1-benzofuran.
What is the SMILES notation for 2-methylsulfanyl-3-propan-2-yl-1-benzofuran?
The canonical SMILES for 2-methylsulfanyl-3-propan-2-yl-1-benzofuran is CSc1oc2ccccc2c1C(C)C.
What is the InChIKey of 2-methylsulfanyl-3-propan-2-yl-1-benzofuran?
The InChIKey is OPXCXBRIENNCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-8(2)11-9-6-4-5-7-10(9)13-12(11)14-3/h4-8H,1-3H3.
What are the key properties of 2-methylsulfanyl-3-propan-2-yl-1-benzofuran?
2-methylsulfanyl-3-propan-2-yl-1-benzofuran has a molecular weight of 206.31 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-propan-2-yl-1-benzofuran is sourced from PubChem (CID 143138070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).