6-chloro-7-sulfanyl-1-benzothiophen-3-ol

C8H5ClOS2 — CID 130793067

IUPAC6-chloro-7-sulfanyl-1-benzothiophen-3-ol
SMILESOc1csc2c(S)c(Cl)ccc12
InChIInChI=1S/C8H5ClOS2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-3,10-11H
InChIKeyLFTVUXFJKBTZDC-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.55
Rot. Bonds

About 6-chloro-7-sulfanyl-1-benzothiophen-3-ol

6-chloro-7-sulfanyl-1-benzothiophen-3-ol (PubChem CID 130793067) has the molecular formula C8H5ClOS2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 6-chloro-7-sulfanyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name6-chloro-7-sulfanyl-1-benzothiophen-3-ol
PubChem CID130793067
Molecular FormulaC8H5ClOS2
Molecular Weight216.71 g/mol
Exact Mass215.95
IUPAC Name6-chloro-7-sulfanyl-1-benzothiophen-3-ol
SMILESOc1csc2c(S)c(Cl)ccc12
InChIInChI=1S/C8H5ClOS2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-3,10-11H
InChIKeyLFTVUXFJKBTZDC-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-chloro-3-sulfanyl-1-benzothiophen-6-ol
CID 131123887
1-benzothiophene-3,7-diol
CID 91345161
7-chloro-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 131145943
3-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-ol
CID 130821591
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126
7-sulfanyl-1-benzothiophene-3,5-diol
CID 130803540
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
CID 130961297
7-bromo-4-chloro-1-benzothiophene-3-thiol
CID 130971751
7-methyl-5-sulfanyl-1-benzothiophen-3-ol
CID 130821450
5,7-dichloro-4-methyl-1-benzothiophen-3-ol
CID 20574805
5,7-dichloro-4-iodo-1-benzothiophen-3-ol
CID 91350563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-sulfanyl-1-benzothiophen-3-ol?
The IUPAC name of 6-chloro-7-sulfanyl-1-benzothiophen-3-ol (CID 130793067) is 6-chloro-7-sulfanyl-1-benzothiophen-3-ol.
What is the SMILES notation for 6-chloro-7-sulfanyl-1-benzothiophen-3-ol?
The canonical SMILES for 6-chloro-7-sulfanyl-1-benzothiophen-3-ol is Oc1csc2c(S)c(Cl)ccc12.
What is the InChIKey of 6-chloro-7-sulfanyl-1-benzothiophen-3-ol?
The InChIKey is LFTVUXFJKBTZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClOS2/c9-5-2-1-4-6(10)3-12-8(4)7(5)11/h1-3,10-11H.
What are the key properties of 6-chloro-7-sulfanyl-1-benzothiophen-3-ol?
6-chloro-7-sulfanyl-1-benzothiophen-3-ol has a molecular weight of 216.71 g/mol, XLogP of 3.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-sulfanyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130793067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).