2-thieno[3,2-b]thiophen-5-ylethanamine

C8H9NS2 — CID 170868981

IUPAC2-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNCCc1cc2sccc2s1
InChIInChI=1S/C8H9NS2/c9-3-1-6-5-8-7(11-6)2-4-10-8/h2,4-5H,1,3,9H2
InChIKeyDYHOJCKLKNVUSR-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.46
Rot. Bonds2

About 2-thieno[3,2-b]thiophen-5-ylethanamine

2-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 170868981) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID170868981
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name2-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNCCc1cc2sccc2s1
InChIInChI=1S/C8H9NS2/c9-3-1-6-5-8-7(11-6)2-4-10-8/h2,4-5H,1,3,9H2
InChIKeyDYHOJCKLKNVUSR-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-thieno[3,2-b]thiophen-5-ylethanamine (CID 170868981) is 2-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-thieno[3,2-b]thiophen-5-ylethanamine is NCCc1cc2sccc2s1.
What is the InChIKey of 2-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is DYHOJCKLKNVUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c9-3-1-6-5-8-7(11-6)2-4-10-8/h2,4-5H,1,3,9H2.
What are the key properties of 2-thieno[3,2-b]thiophen-5-ylethanamine?
2-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 183.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 170868981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).