6-ethoxy-3-iodo-1-benzothiophene-4-thiol

C10H9IOS2 — CID 131122618

IUPAC6-ethoxy-3-iodo-1-benzothiophene-4-thiol
SMILESCCOc1cc(S)c2c(I)csc2c1
InChIInChI=1S/C10H9IOS2/c1-2-12-6-3-8(13)10-7(11)5-14-9(10)4-6/h3-5,13H,2H2,1H3
InChIKeyMTGRUWVYWKUIBV-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.19
Rot. Bonds2

About 6-ethoxy-3-iodo-1-benzothiophene-4-thiol

6-ethoxy-3-iodo-1-benzothiophene-4-thiol (PubChem CID 131122618) has the molecular formula C10H9IOS2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 6-ethoxy-3-iodo-1-benzothiophene-4-thiol.

Molecular Properties

Compound Name6-ethoxy-3-iodo-1-benzothiophene-4-thiol
PubChem CID131122618
Molecular FormulaC10H9IOS2
Molecular Weight336.22 g/mol
Exact Mass335.91
IUPAC Name6-ethoxy-3-iodo-1-benzothiophene-4-thiol
SMILESCCOc1cc(S)c2c(I)csc2c1
InChIInChI=1S/C10H9IOS2/c1-2-12-6-3-8(13)10-7(11)5-14-9(10)4-6/h3-5,13H,2H2,1H3
InChIKeyMTGRUWVYWKUIBV-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-3-fluoro-4-iodo-1-benzothiophene
CID 131123992
3-fluoro-6-methoxy-1-benzothiophene-4-thiol
CID 131122789
6-methoxy-4-sulfanyl-1-benzothiophene-3-carbonitrile
CID 130805655
3-iodo-6-methoxy-1-benzothiophene-4-carbaldehyde
CID 130900333
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
2-bromo-6-ethoxy-1-benzothiophene-3-thiol
CID 131075867
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
5-chloro-3-ethoxy-6-iodo-1-benzothiophene
CID 130866122
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
3-iodo-5-methoxy-1-benzothiophene-6-thiol
CID 130788340
2-amino-5-(4-ethoxyphenyl)benzenethiol
CID 139776815
3-iodo-4-methyl-1-benzothiophen-6-amine
CID 130816506

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-iodo-1-benzothiophene-4-thiol?
The IUPAC name of 6-ethoxy-3-iodo-1-benzothiophene-4-thiol (CID 131122618) is 6-ethoxy-3-iodo-1-benzothiophene-4-thiol.
What is the SMILES notation for 6-ethoxy-3-iodo-1-benzothiophene-4-thiol?
The canonical SMILES for 6-ethoxy-3-iodo-1-benzothiophene-4-thiol is CCOc1cc(S)c2c(I)csc2c1.
What is the InChIKey of 6-ethoxy-3-iodo-1-benzothiophene-4-thiol?
The InChIKey is MTGRUWVYWKUIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS2/c1-2-12-6-3-8(13)10-7(11)5-14-9(10)4-6/h3-5,13H,2H2,1H3.
What are the key properties of 6-ethoxy-3-iodo-1-benzothiophene-4-thiol?
6-ethoxy-3-iodo-1-benzothiophene-4-thiol has a molecular weight of 336.22 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-iodo-1-benzothiophene-4-thiol is sourced from PubChem (CID 131122618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).