2-amino-5-chloro-1-benzothiophen-4-ol

C8H6ClNOS — CID 130956293

IUPAC2-amino-5-chloro-1-benzothiophen-4-ol
SMILESNc1cc2c(O)c(Cl)ccc2s1
InChIInChI=1S/C8H6ClNOS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H,10H2
InChIKeyWASSDUMKPFYGBI-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.84
Rot. Bonds

About 2-amino-5-chloro-1-benzothiophen-4-ol

2-amino-5-chloro-1-benzothiophen-4-ol (PubChem CID 130956293) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 2-amino-5-chloro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-amino-5-chloro-1-benzothiophen-4-ol
PubChem CID130956293
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name2-amino-5-chloro-1-benzothiophen-4-ol
SMILESNc1cc2c(O)c(Cl)ccc2s1
InChIInChI=1S/C8H6ClNOS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H,10H2
InChIKeyWASSDUMKPFYGBI-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
2-(2-amino-5-chloro-1-benzothiophen-4-yl)acetonitrile
CID 131033901
5-chloro-2-methyl-1-benzothiophen-3-ol
CID 90918117
3-chlorodibenzothiophen-4-ol
CID 901536
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
2-amino-5-(bromomethyl)-1-benzothiophene-4-thiol
CID 131138226
2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
CID 130985270
2-amino-4-methylsulfanyl-1-benzothiophene-5-thiol
CID 130788782
4-propan-2-yl-1-benzothiophen-2-amine
CID 163391702
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
2-chloro-5-nitro-1-benzothiophen-3-ol
CID 130955841

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-1-benzothiophen-4-ol?
The IUPAC name of 2-amino-5-chloro-1-benzothiophen-4-ol (CID 130956293) is 2-amino-5-chloro-1-benzothiophen-4-ol.
What is the SMILES notation for 2-amino-5-chloro-1-benzothiophen-4-ol?
The canonical SMILES for 2-amino-5-chloro-1-benzothiophen-4-ol is Nc1cc2c(O)c(Cl)ccc2s1.
What is the InChIKey of 2-amino-5-chloro-1-benzothiophen-4-ol?
The InChIKey is WASSDUMKPFYGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c9-5-1-2-6-4(8(5)11)3-7(10)12-6/h1-3,11H,10H2.
What are the key properties of 2-amino-5-chloro-1-benzothiophen-4-ol?
2-amino-5-chloro-1-benzothiophen-4-ol has a molecular weight of 199.66 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-1-benzothiophen-4-ol is sourced from PubChem (CID 130956293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).