7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine

C11H13NS2 — CID 130865946

IUPAC7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine
SMILESCCc1c(N)ccc2c(SC)csc12
InChIInChI=1S/C11H13NS2/c1-3-7-9(12)5-4-8-10(13-2)6-14-11(7)8/h4-6H,3,12H2,1-2H3
InChIKeyZMXHGWGJMWPFMC-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.77
Rot. Bonds2

About 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine

7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine (PubChem CID 130865946) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine.

Molecular Properties

Compound Name7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine
PubChem CID130865946
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine
SMILESCCc1c(N)ccc2c(SC)csc12
InChIInChI=1S/C11H13NS2/c1-3-7-9(12)5-4-8-10(13-2)6-14-11(7)8/h4-6H,3,12H2,1-2H3
InChIKeyZMXHGWGJMWPFMC-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine 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

7-ethyl-6-iodo-3-methylsulfanyl-1-benzothiophene
CID 130854627
7-ethyl-3-iodo-1-benzothiophen-6-amine
CID 130839819
6-iodo-3-methylsulfanyl-1-benzothiophen-7-amine
CID 131145198
(6-amino-3-fluoro-1-benzothiophen-7-yl)methanol
CID 130788571
3-methylsulfanyl-7-sulfanyl-1-benzothiophen-6-ol
CID 130821591
6-fluoro-3-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 130792312
3-amino-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130956610
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
6-amino-7-methylsulfanyl-1-benzothiophene-3-carbaldehyde
CID 130788590
3-(chloromethyl)-6-methylsulfanyl-1-benzothiophen-7-amine
CID 131138200
7-amino-3-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130805515
6-iodo-3-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 131123058

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine?
The IUPAC name of 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine (CID 130865946) is 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine.
What is the SMILES notation for 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine?
The canonical SMILES for 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine is CCc1c(N)ccc2c(SC)csc12.
What is the InChIKey of 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine?
The InChIKey is ZMXHGWGJMWPFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-3-7-9(12)5-4-8-10(13-2)6-14-11(7)8/h4-6H,3,12H2,1-2H3.
What are the key properties of 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine?
7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine has a molecular weight of 223.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methylsulfanyl-1-benzothiophen-6-amine is sourced from PubChem (CID 130865946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).