7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene

C10H9BrOS2 — CID 130985434

IUPAC7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1SC
InChIInChI=1S/C10H9BrOS2/c1-12-10-9(13-2)6-4-3-5-7(11)8(6)14-10/h3-5H,1-2H3
InChIKeyRYEFRLQCTIFHCJ-UHFFFAOYSA-N
MW289.22 g/mol
LogP4.39
Rot. Bonds2

About 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene

7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene (PubChem CID 130985434) has the molecular formula C10H9BrOS2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
PubChem CID130985434
Molecular FormulaC10H9BrOS2
Molecular Weight289.22 g/mol
Exact Mass287.93
IUPAC Name7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
SMILESCOc1sc2c(Br)cccc2c1SC
InChIInChI=1S/C10H9BrOS2/c1-12-10-9(13-2)6-4-3-5-7(11)8(6)14-10/h3-5H,1-2H3
InChIKeyRYEFRLQCTIFHCJ-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene?
The IUPAC name of 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene (CID 130985434) is 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene is COc1sc2c(Br)cccc2c1SC.
What is the InChIKey of 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene?
The InChIKey is RYEFRLQCTIFHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS2/c1-12-10-9(13-2)6-4-3-5-7(11)8(6)14-10/h3-5H,1-2H3.
What are the key properties of 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene?
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene has a molecular weight of 289.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130985434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).