2-amino-4-ethoxy-1-benzothiophene-5-thiol

C10H11NOS2 — CID 131080544

IUPAC2-amino-4-ethoxy-1-benzothiophene-5-thiol
SMILESCCOc1c(S)ccc2sc(N)cc12
InChIInChI=1S/C10H11NOS2/c1-2-12-10-6-5-9(11)14-8(6)4-3-7(10)13/h3-5,13H,2,11H2,1H3
InChIKeyLNUJDYVTLWKNQM-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.17
Rot. Bonds2

About 2-amino-4-ethoxy-1-benzothiophene-5-thiol

2-amino-4-ethoxy-1-benzothiophene-5-thiol (PubChem CID 131080544) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-4-ethoxy-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name2-amino-4-ethoxy-1-benzothiophene-5-thiol
PubChem CID131080544
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name2-amino-4-ethoxy-1-benzothiophene-5-thiol
SMILESCCOc1c(S)ccc2sc(N)cc12
InChIInChI=1S/C10H11NOS2/c1-2-12-10-6-5-9(11)14-8(6)4-3-7(10)13/h3-5,13H,2,11H2,1H3
InChIKeyLNUJDYVTLWKNQM-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

2-amino-4-methylsulfanyl-1-benzothiophene-5-thiol
CID 130788782
thieno[3,2-e][1]benzothiole-2,7-diamine
CID 69036958
2-amino-5-(bromomethyl)-1-benzothiophene-4-thiol
CID 131138226
5-fluoro-4-methoxy-1-benzothiophen-2-amine
CID 131075976
6-bromo-3-ethoxy-1-benzothiophen-2-amine
CID 131075965
6-bromo-3-ethoxy-1-benzothiophene-2-thiol
CID 131098357
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 130821366
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
5-bromo-2-ethoxy-1-benzothiophene-4-thiol
CID 130866367
4-amino-5-ethoxy-1-benzothiophen-2-ol
CID 130941853
7-aminothieno[3,2-e][1]benzothiol-2-ol
CID 69035510
4-propan-2-yl-1-benzothiophen-2-amine
CID 163391702

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-1-benzothiophene-5-thiol?
The IUPAC name of 2-amino-4-ethoxy-1-benzothiophene-5-thiol (CID 131080544) is 2-amino-4-ethoxy-1-benzothiophene-5-thiol.
What is the SMILES notation for 2-amino-4-ethoxy-1-benzothiophene-5-thiol?
The canonical SMILES for 2-amino-4-ethoxy-1-benzothiophene-5-thiol is CCOc1c(S)ccc2sc(N)cc12.
What is the InChIKey of 2-amino-4-ethoxy-1-benzothiophene-5-thiol?
The InChIKey is LNUJDYVTLWKNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-2-12-10-6-5-9(11)14-8(6)4-3-7(10)13/h3-5,13H,2,11H2,1H3.
What are the key properties of 2-amino-4-ethoxy-1-benzothiophene-5-thiol?
2-amino-4-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-4-ethoxy-1-benzothiophene-5-thiol is sourced from PubChem (CID 131080544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).