7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol

C9H7BrOS2 — CID 130955836

IUPAC7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol
SMILESCSc1cc2ccsc2c(Br)c1O
InChIInChI=1S/C9H7BrOS2/c1-12-6-4-5-2-3-13-9(5)7(10)8(6)11/h2-4,11H,1H3
InChIKeyFIBMIFVURXPUGK-UHFFFAOYSA-N
MW275.19 g/mol
LogP4.09
Rot. Bonds1

About 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol

7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol (PubChem CID 130955836) has the molecular formula C9H7BrOS2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol.

Molecular Properties

Compound Name7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol
PubChem CID130955836
Molecular FormulaC9H7BrOS2
Molecular Weight275.19 g/mol
Exact Mass273.91
IUPAC Name7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol
SMILESCSc1cc2ccsc2c(Br)c1O
InChIInChI=1S/C9H7BrOS2/c1-12-6-4-5-2-3-13-9(5)7(10)8(6)11/h2-4,11H,1H3
InChIKeyFIBMIFVURXPUGK-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol?
The IUPAC name of 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol (CID 130955836) is 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol.
What is the SMILES notation for 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol?
The canonical SMILES for 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol is CSc1cc2ccsc2c(Br)c1O.
What is the InChIKey of 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol?
The InChIKey is FIBMIFVURXPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS2/c1-12-6-4-5-2-3-13-9(5)7(10)8(6)11/h2-4,11H,1H3.
What are the key properties of 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol?
7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol has a molecular weight of 275.19 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylsulfanyl-1-benzothiophen-6-ol is sourced from PubChem (CID 130955836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).