5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran

C10H9BrO2S — CID 90845029

IUPAC5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1S(C)=O
InChIInChI=1S/C10H9BrO2S/c1-6-10(14(2)12)8-5-7(11)3-4-9(8)13-6/h3-5H,1-2H3
InChIKeyDQJLSMZXANEPNS-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.24
Rot. Bonds1

About 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran

5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran (PubChem CID 90845029) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran
PubChem CID90845029
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran
SMILESCc1oc2ccc(Br)cc2c1S(C)=O
InChIInChI=1S/C10H9BrO2S/c1-6-10(14(2)12)8-5-7(11)3-4-9(8)13-6/h3-5H,1-2H3
InChIKeyDQJLSMZXANEPNS-UHFFFAOYSA-N
XLogP3.24
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran?
The IUPAC name of 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran (CID 90845029) is 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran is Cc1oc2ccc(Br)cc2c1S(C)=O.
What is the InChIKey of 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran?
The InChIKey is DQJLSMZXANEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-6-10(14(2)12)8-5-7(11)3-4-9(8)13-6/h3-5H,1-2H3.
What are the key properties of 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran?
5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran has a molecular weight of 273.15 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 90845029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).