6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene

C10H9IOS2 — CID 131219142

IUPAC6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
SMILESCOc1cc2ccsc2c(SC)c1I
InChIInChI=1S/C10H9IOS2/c1-12-7-5-6-3-4-14-9(6)10(13-2)8(7)11/h3-5H,1-2H3
InChIKeyHBMOWPYMOAZOPF-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.24
Rot. Bonds2

About 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene

6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene (PubChem CID 131219142) has the molecular formula C10H9IOS2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
PubChem CID131219142
Molecular FormulaC10H9IOS2
Molecular Weight336.22 g/mol
Exact Mass335.91
IUPAC Name6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
SMILESCOc1cc2ccsc2c(SC)c1I
InChIInChI=1S/C10H9IOS2/c1-12-7-5-6-3-4-14-9(6)10(13-2)8(7)11/h3-5H,1-2H3
InChIKeyHBMOWPYMOAZOPF-UHFFFAOYSA-N
XLogP4.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 130854626
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
5,7-diiodo-4-methylsulfanyl-1-benzothiophene
CID 130969546
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
5-(chloromethyl)-7-iodo-6-methyl-1-benzothiophene
CID 131002195
5-ethoxy-7-iodo-1-benzothiophene-6-thiol
CID 130988096
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene (CID 131219142) is 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene is COc1cc2ccsc2c(SC)c1I.
What is the InChIKey of 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene?
The InChIKey is HBMOWPYMOAZOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS2/c1-12-7-5-6-3-4-14-9(6)10(13-2)8(7)11/h3-5H,1-2H3.
What are the key properties of 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene?
6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene has a molecular weight of 336.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131219142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).