5,6,7-trichloro-1-benzothiophen-3-ol

C8H3Cl3OS — CID 20574807

IUPAC5,6,7-trichloro-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)c(Cl)c(Cl)cc12
InChIInChI=1S/C8H3Cl3OS/c9-4-1-3-5(12)2-13-8(3)7(11)6(4)10/h1-2,12H
InChIKeyRNKRITYZKXPFGM-UHFFFAOYSA-N
MW253.54 g/mol
LogP4.57
Rot. Bonds

About 5,6,7-trichloro-1-benzothiophen-3-ol

5,6,7-trichloro-1-benzothiophen-3-ol (PubChem CID 20574807) has the molecular formula C8H3Cl3OS and a molecular weight of 253.54 g/mol. Its IUPAC name is 5,6,7-trichloro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5,6,7-trichloro-1-benzothiophen-3-ol
PubChem CID20574807
Molecular FormulaC8H3Cl3OS
Molecular Weight253.54 g/mol
Exact Mass251.90
IUPAC Name5,6,7-trichloro-1-benzothiophen-3-ol
SMILESOc1csc2c(Cl)c(Cl)c(Cl)cc12
InChIInChI=1S/C8H3Cl3OS/c9-4-1-3-5(12)2-13-8(3)7(11)6(4)10/h1-2,12H
InChIKeyRNKRITYZKXPFGM-UHFFFAOYSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trichloro-1-benzothiophen-3-ol?
The IUPAC name of 5,6,7-trichloro-1-benzothiophen-3-ol (CID 20574807) is 5,6,7-trichloro-1-benzothiophen-3-ol.
What is the SMILES notation for 5,6,7-trichloro-1-benzothiophen-3-ol?
The canonical SMILES for 5,6,7-trichloro-1-benzothiophen-3-ol is Oc1csc2c(Cl)c(Cl)c(Cl)cc12.
What is the InChIKey of 5,6,7-trichloro-1-benzothiophen-3-ol?
The InChIKey is RNKRITYZKXPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3OS/c9-4-1-3-5(12)2-13-8(3)7(11)6(4)10/h1-2,12H.
What are the key properties of 5,6,7-trichloro-1-benzothiophen-3-ol?
5,6,7-trichloro-1-benzothiophen-3-ol has a molecular weight of 253.54 g/mol, XLogP of 4.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trichloro-1-benzothiophen-3-ol is sourced from PubChem (CID 20574807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).