4-phenylthiophen-3-amine

C10H9NS — CID 12950678

IUPAC4-phenylthiophen-3-amine
SMILESNc1cscc1-c1ccccc1
InChIInChI=1S/C10H9NS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyYYXRJTDWTKFYSB-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.00
Rot. Bonds1

About 4-phenylthiophen-3-amine

4-phenylthiophen-3-amine (PubChem CID 12950678) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-phenylthiophen-3-amine.

Molecular Properties

Compound Name4-phenylthiophen-3-amine
PubChem CID12950678
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-phenylthiophen-3-amine
SMILESNc1cscc1-c1ccccc1
InChIInChI=1S/C10H9NS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyYYXRJTDWTKFYSB-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiophen-3-amine?
The IUPAC name of 4-phenylthiophen-3-amine (CID 12950678) is 4-phenylthiophen-3-amine.
What is the SMILES notation for 4-phenylthiophen-3-amine?
The canonical SMILES for 4-phenylthiophen-3-amine is Nc1cscc1-c1ccccc1.
What is the InChIKey of 4-phenylthiophen-3-amine?
The InChIKey is YYXRJTDWTKFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-10-7-12-6-9(10)8-4-2-1-3-5-8/h1-7H,11H2.
What are the key properties of 4-phenylthiophen-3-amine?
4-phenylthiophen-3-amine has a molecular weight of 175.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiophen-3-amine is sourced from PubChem (CID 12950678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).