2-amino-4-ethoxy-1-benzothiophene-3-thiol

C10H11NOS2 — CID 130816645

IUPAC2-amino-4-ethoxy-1-benzothiophene-3-thiol
SMILESCCOc1cccc2sc(N)c(S)c12
InChIInChI=1S/C10H11NOS2/c1-2-12-6-4-3-5-7-8(6)9(13)10(11)14-7/h3-5,13H,2,11H2,1H3
InChIKeyOBWZHQSYLHOMSE-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.17
Rot. Bonds2

About 2-amino-4-ethoxy-1-benzothiophene-3-thiol

2-amino-4-ethoxy-1-benzothiophene-3-thiol (PubChem CID 130816645) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-4-ethoxy-1-benzothiophene-3-thiol.

Molecular Properties

Compound Name2-amino-4-ethoxy-1-benzothiophene-3-thiol
PubChem CID130816645
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name2-amino-4-ethoxy-1-benzothiophene-3-thiol
SMILESCCOc1cccc2sc(N)c(S)c12
InChIInChI=1S/C10H11NOS2/c1-2-12-6-4-3-5-7-8(6)9(13)10(11)14-7/h3-5,13H,2,11H2,1H3
InChIKeyOBWZHQSYLHOMSE-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

3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
4-ethoxy-3-fluoro-1-benzothiophene-2-thiol
CID 130792742
2-bromo-6-ethoxybenzenethiol
CID 91874370
2-amino-3,6-diethoxybenzenethiol
CID 65053438
3-chloro-4-methoxy-1-benzothiophen-2-amine
CID 130884124
3-ethoxy-5-methyl-1-benzothiophene-4-thiol
CID 130970957
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372
5-amino-6-ethoxy-1-benzothiophene-2-thiol
CID 131054042
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
4-amino-2-ethoxy-1-benzothiophene-3-carbonitrile
CID 131554708
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethoxy-1-benzothiophene-3-thiol?
The IUPAC name of 2-amino-4-ethoxy-1-benzothiophene-3-thiol (CID 130816645) is 2-amino-4-ethoxy-1-benzothiophene-3-thiol.
What is the SMILES notation for 2-amino-4-ethoxy-1-benzothiophene-3-thiol?
The canonical SMILES for 2-amino-4-ethoxy-1-benzothiophene-3-thiol is CCOc1cccc2sc(N)c(S)c12.
What is the InChIKey of 2-amino-4-ethoxy-1-benzothiophene-3-thiol?
The InChIKey is OBWZHQSYLHOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-2-12-6-4-3-5-7-8(6)9(13)10(11)14-7/h3-5,13H,2,11H2,1H3.
What are the key properties of 2-amino-4-ethoxy-1-benzothiophene-3-thiol?
2-amino-4-ethoxy-1-benzothiophene-3-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-3-thiol is sourced from PubChem (CID 130816645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).