5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

C8H7ClO3S — CID 56773888

IUPAC5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)CC(O)c2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3,7,10H,4H2
InChIKeyRKSPUXNPAQVIRM-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.16
Rot. Bonds

About 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol

5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (PubChem CID 56773888) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
PubChem CID56773888
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol
SMILESO=S1(=O)CC(O)c2cc(Cl)ccc21
InChIInChI=1S/C8H7ClO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3,7,10H,4H2
InChIKeyRKSPUXNPAQVIRM-UHFFFAOYSA-N
XLogP1.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The IUPAC name of 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol (CID 56773888) is 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol.
What is the SMILES notation for 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The canonical SMILES for 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is O=S1(=O)CC(O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
The InChIKey is RKSPUXNPAQVIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-5-1-2-8-6(3-5)7(10)4-13(8,11)12/h1-3,7,10H,4H2.
What are the key properties of 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol?
5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol has a molecular weight of 218.66 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-ol is sourced from PubChem (CID 56773888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).