2,3-dihydro-1-benzothiophen-3-amine

C8H9NS — CID 43539109

IUPAC2,3-dihydro-1-benzothiophen-3-amine
SMILESNC1CSc2ccccc21
InChIInChI=1S/C8H9NS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKeyDNIHSQRMUDUEQZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.79
Rot. Bonds

About 2,3-dihydro-1-benzothiophen-3-amine

2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539109) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539109
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2,3-dihydro-1-benzothiophen-3-amine
SMILESNC1CSc2ccccc21
InChIInChI=1S/C8H9NS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2
InChIKeyDNIHSQRMUDUEQZ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-amine (CID 43539109) is 2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-amine is NC1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is DNIHSQRMUDUEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-amine?
2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 151.23 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).