2-amino-7-ethoxy-1-benzothiophene-5-thiol

C10H11NOS2 — CID 130816647

IUPAC2-amino-7-ethoxy-1-benzothiophene-5-thiol
SMILESCCOc1cc(S)cc2cc(N)sc12
InChIInChI=1S/C10H11NOS2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,13H,2,11H2,1H3
InChIKeyDSPLFKGEBOTSLU-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.17
Rot. Bonds2

About 2-amino-7-ethoxy-1-benzothiophene-5-thiol

2-amino-7-ethoxy-1-benzothiophene-5-thiol (PubChem CID 130816647) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-7-ethoxy-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name2-amino-7-ethoxy-1-benzothiophene-5-thiol
PubChem CID130816647
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name2-amino-7-ethoxy-1-benzothiophene-5-thiol
SMILESCCOc1cc(S)cc2cc(N)sc12
InChIInChI=1S/C10H11NOS2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,13H,2,11H2,1H3
InChIKeyDSPLFKGEBOTSLU-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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 131146482
5-bromo-7-ethoxy-2-methyl-1-benzothiophene
CID 130866388
5-chloro-7-ethoxy-2-methyl-1-benzothiophene
CID 130803709
5-amino-6-ethoxy-1-benzothiophene-2-thiol
CID 131054042
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
7-amino-5-sulfanyl-1-benzothiophen-2-ol
CID 130821031
3,5-diethoxypyridine-2,6-diamine;dihydrochloride
CID 70442489
2-tert-butyl-6-ethoxy-4-sulfanylphenol
CID 174908633
2-amino-3,6-diethoxybenzenethiol
CID 65053438
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
CID 131169442
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-ethoxy-1-benzothiophene-5-thiol?
The IUPAC name of 2-amino-7-ethoxy-1-benzothiophene-5-thiol (CID 130816647) is 2-amino-7-ethoxy-1-benzothiophene-5-thiol.
What is the SMILES notation for 2-amino-7-ethoxy-1-benzothiophene-5-thiol?
The canonical SMILES for 2-amino-7-ethoxy-1-benzothiophene-5-thiol is CCOc1cc(S)cc2cc(N)sc12.
What is the InChIKey of 2-amino-7-ethoxy-1-benzothiophene-5-thiol?
The InChIKey is DSPLFKGEBOTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,13H,2,11H2,1H3.
What are the key properties of 2-amino-7-ethoxy-1-benzothiophene-5-thiol?
2-amino-7-ethoxy-1-benzothiophene-5-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 2-amino-7-ethoxy-1-benzothiophene-5-thiol is sourced from PubChem (CID 130816647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).