6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran

C13H16OS — CID 117185548

IUPAC6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
SMILESCc1ccc2c(CSC(C)C)coc2c1
InChIInChI=1S/C13H16OS/c1-9(2)15-8-11-7-14-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyGDUTUEZAVXYBHO-UHFFFAOYSA-N
MW220.34 g/mol
LogP4.38
Rot. Bonds3

About 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran

6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran (PubChem CID 117185548) has the molecular formula C13H16OS and a molecular weight of 220.34 g/mol. Its IUPAC name is 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
PubChem CID117185548
Molecular FormulaC13H16OS
Molecular Weight220.34 g/mol
Exact Mass220.09
IUPAC Name6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
SMILESCc1ccc2c(CSC(C)C)coc2c1
InChIInChI=1S/C13H16OS/c1-9(2)15-8-11-7-14-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3
InChIKeyGDUTUEZAVXYBHO-UHFFFAOYSA-N
XLogP4.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
6-methyl-3-(methylsulfonylmethyl)-1-benzofuran
CID 117185515
actinium;6-methyl-1-benzofuran-3-ol
CID 59083990
N-(4-hydroxy-2-methylbutyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 66107127
4-fluoro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117170459
2-(6-methyl-1-benzofuran-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877348
(3-methyl-4-propan-2-ylphenyl) 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7927183
methyl (2R,3R)-3-methyl-2-[[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]pentanoate
CID 8845905
5-methyl-2-(propan-2-ylsulfanylmethyl)benzoic acid
CID 117221381
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872173
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8737539

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran?
The IUPAC name of 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran (CID 117185548) is 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran.
What is the SMILES notation for 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran?
The canonical SMILES for 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran is Cc1ccc2c(CSC(C)C)coc2c1.
What is the InChIKey of 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran?
The InChIKey is GDUTUEZAVXYBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16OS/c1-9(2)15-8-11-7-14-13-6-10(3)4-5-12(11)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran?
6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran has a molecular weight of 220.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(propan-2-ylsulfanylmethyl)-1-benzofuran is sourced from PubChem (CID 117185548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).