5,6-dihydro-1-benzothiophen-5-amine

C8H9NS — CID 89074072

IUPAC5,6-dihydro-1-benzothiophen-5-amine
SMILESNC1C=c2ccsc2=CC1
InChIInChI=1S/C8H9NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-5,7H,1,9H2
InChIKeyUFRAUWQZTDKPNW-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.04
Rot. Bonds

About 5,6-dihydro-1-benzothiophen-5-amine

5,6-dihydro-1-benzothiophen-5-amine (PubChem CID 89074072) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5,6-dihydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name5,6-dihydro-1-benzothiophen-5-amine
PubChem CID89074072
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5,6-dihydro-1-benzothiophen-5-amine
SMILESNC1C=c2ccsc2=CC1
InChIInChI=1S/C8H9NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-5,7H,1,9H2
InChIKeyUFRAUWQZTDKPNW-UHFFFAOYSA-N
XLogP0.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-1-benzothiophen-5-amine?
The IUPAC name of 5,6-dihydro-1-benzothiophen-5-amine (CID 89074072) is 5,6-dihydro-1-benzothiophen-5-amine.
What is the SMILES notation for 5,6-dihydro-1-benzothiophen-5-amine?
The canonical SMILES for 5,6-dihydro-1-benzothiophen-5-amine is NC1C=c2ccsc2=CC1.
What is the InChIKey of 5,6-dihydro-1-benzothiophen-5-amine?
The InChIKey is UFRAUWQZTDKPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-5,7H,1,9H2.
What are the key properties of 5,6-dihydro-1-benzothiophen-5-amine?
5,6-dihydro-1-benzothiophen-5-amine has a molecular weight of 151.23 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-1-benzothiophen-5-amine is sourced from PubChem (CID 89074072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).