5-amino-6-ethoxy-1-benzothiophene-2-thiol

C10H11NOS2 — CID 131054042

IUPAC5-amino-6-ethoxy-1-benzothiophene-2-thiol
SMILESCCOc1cc2sc(S)cc2cc1N
InChIInChI=1S/C10H11NOS2/c1-2-12-8-5-9-6(3-7(8)11)4-10(13)14-9/h3-5,13H,2,11H2,1H3
InChIKeyYEMBISBFGLIDFR-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.17
Rot. Bonds2

About 5-amino-6-ethoxy-1-benzothiophene-2-thiol

5-amino-6-ethoxy-1-benzothiophene-2-thiol (PubChem CID 131054042) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-amino-6-ethoxy-1-benzothiophene-2-thiol.

Molecular Properties

Compound Name5-amino-6-ethoxy-1-benzothiophene-2-thiol
PubChem CID131054042
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name5-amino-6-ethoxy-1-benzothiophene-2-thiol
SMILESCCOc1cc2sc(S)cc2cc1N
InChIInChI=1S/C10H11NOS2/c1-2-12-8-5-9-6(3-7(8)11)4-10(13)14-9/h3-5,13H,2,11H2,1H3
InChIKeyYEMBISBFGLIDFR-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-6-ethoxy-1-benzothiophene-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-chloro-6-ethoxy-1-benzothiophene
CID 131053420
4-(3-amino-4-ethoxyphenyl)tellanyl-2-ethoxyaniline
CID 139266329
2-ethoxy-4-naphthalen-2-ylsulfanylaniline
CID 63676558
2-amino-7-ethoxy-1-benzothiophene-5-thiol
CID 130816647
2-amino-4-ethoxy-1-benzothiophene-3-thiol
CID 130816645
4-amino-2,5-diethoxybenzenesulfonic acid
CID 23355528
2-amino-3,6-diethoxybenzenethiol
CID 65053438
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
5-ethoxy-6-iodo-1-benzothiophen-2-ol
CID 131096884
2-ethoxy-4-propoxyaniline
CID 63677806
4-(2-aminoethyl)-2-ethoxyaniline
CID 91191224
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-ethoxy-1-benzothiophene-2-thiol?
The IUPAC name of 5-amino-6-ethoxy-1-benzothiophene-2-thiol (CID 131054042) is 5-amino-6-ethoxy-1-benzothiophene-2-thiol.
What is the SMILES notation for 5-amino-6-ethoxy-1-benzothiophene-2-thiol?
The canonical SMILES for 5-amino-6-ethoxy-1-benzothiophene-2-thiol is CCOc1cc2sc(S)cc2cc1N.
What is the InChIKey of 5-amino-6-ethoxy-1-benzothiophene-2-thiol?
The InChIKey is YEMBISBFGLIDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-2-12-8-5-9-6(3-7(8)11)4-10(13)14-9/h3-5,13H,2,11H2,1H3.
What are the key properties of 5-amino-6-ethoxy-1-benzothiophene-2-thiol?
5-amino-6-ethoxy-1-benzothiophene-2-thiol has a molecular weight of 225.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-ethoxy-1-benzothiophene-2-thiol is sourced from PubChem (CID 131054042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).