5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran

C14H19BrOS — CID 66760949

IUPAC5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran
SMILESCSCC1(C)Cc2c(C)c(Br)c(C)c(C)c2O1
InChIInChI=1S/C14H19BrOS/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,16-13)7-17-5/h6-7H2,1-5H3
InChIKeyWQEMEAKCHFJKAU-UHFFFAOYSA-N
MW315.28 g/mol
LogP4.43
Rot. Bonds2

About 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran

5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran (PubChem CID 66760949) has the molecular formula C14H19BrOS and a molecular weight of 315.28 g/mol. Its IUPAC name is 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran
PubChem CID66760949
Molecular FormulaC14H19BrOS
Molecular Weight315.28 g/mol
Exact Mass314.03
IUPAC Name5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran
SMILESCSCC1(C)Cc2c(C)c(Br)c(C)c(C)c2O1
InChIInChI=1S/C14H19BrOS/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,16-13)7-17-5/h6-7H2,1-5H3
InChIKeyWQEMEAKCHFJKAU-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18699197
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CID 19078602
CID 19078602
CID 23113979
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CID 23114114
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CID 23114193
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CID 23157400
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CID 53917964
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CID 66759547
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CID 66759727
CID 66759727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran?
The IUPAC name of 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran (CID 66760949) is 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran.
What is the SMILES notation for 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran?
The canonical SMILES for 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran is CSCC1(C)Cc2c(C)c(Br)c(C)c(C)c2O1.
What is the InChIKey of 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran?
The InChIKey is WQEMEAKCHFJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrOS/c1-8-9(2)13-11(10(3)12(8)15)6-14(4,16-13)7-17-5/h6-7H2,1-5H3.
What are the key properties of 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran?
5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran has a molecular weight of 315.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4,6,7-tetramethyl-2-(methylsulfanylmethyl)-3H-1-benzofuran is sourced from PubChem (CID 66760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).