4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene

C10H9BrOS2 — CID 130885377

IUPAC4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
SMILESCOc1cc2c(Br)c(SC)ccc2s1
InChIInChI=1S/C10H9BrOS2/c1-12-9-5-6-7(14-9)3-4-8(13-2)10(6)11/h3-5H,1-2H3
InChIKeyVYZSPLPRSDCVFL-UHFFFAOYSA-N
MW289.22 g/mol
LogP4.39
Rot. Bonds2

About 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene

4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene (PubChem CID 130885377) has the molecular formula C10H9BrOS2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
PubChem CID130885377
Molecular FormulaC10H9BrOS2
Molecular Weight289.22 g/mol
Exact Mass287.93
IUPAC Name4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
SMILESCOc1cc2c(Br)c(SC)ccc2s1
InChIInChI=1S/C10H9BrOS2/c1-12-9-5-6-7(14-9)3-4-8(13-2)10(6)11/h3-5H,1-2H3
InChIKeyVYZSPLPRSDCVFL-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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Related Compounds

5-bromo-4-iodo-2-methoxy-1-benzothiophene
CID 130914513
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
3-bromo-5-methoxy-2-methylsulfanyl-1-benzothiophene
CID 131146119
4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 130884114
2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
CID 130840003
5-iodo-2-methoxy-1-benzothiophen-4-amine
CID 130970049
5-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 130857304
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130914899
4-bromo-5-chloro-2-methylsulfanyl-1-benzothiophene
CID 131145934
2,5-dimethoxy-1-benzothiophene
CID 69101358

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene?
The IUPAC name of 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene (CID 130885377) is 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene is COc1cc2c(Br)c(SC)ccc2s1.
What is the InChIKey of 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene?
The InChIKey is VYZSPLPRSDCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrOS2/c1-12-9-5-6-7(14-9)3-4-8(13-2)10(6)11/h3-5H,1-2H3.
What are the key properties of 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene?
4-bromo-2-methoxy-5-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 4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130885377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).