5-phenylthiophen-3-amine

C10H9NS — CID 15526291

IUPAC5-phenylthiophen-3-amine
SMILESNc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H9NS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyGQNDKVSFMBAOLF-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.00
Rot. Bonds1

About 5-phenylthiophen-3-amine

5-phenylthiophen-3-amine (PubChem CID 15526291) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 5-phenylthiophen-3-amine.

Molecular Properties

Compound Name5-phenylthiophen-3-amine
PubChem CID15526291
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name5-phenylthiophen-3-amine
SMILESNc1csc(-c2ccccc2)c1
InChIInChI=1S/C10H9NS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H,11H2
InChIKeyGQNDKVSFMBAOLF-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 5-phenylthiophen-3-amine?
The IUPAC name of 5-phenylthiophen-3-amine (CID 15526291) is 5-phenylthiophen-3-amine.
What is the SMILES notation for 5-phenylthiophen-3-amine?
The canonical SMILES for 5-phenylthiophen-3-amine is Nc1csc(-c2ccccc2)c1.
What is the InChIKey of 5-phenylthiophen-3-amine?
The InChIKey is GQNDKVSFMBAOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c11-9-6-10(12-7-9)8-4-2-1-3-5-8/h1-7H,11H2.
What are the key properties of 5-phenylthiophen-3-amine?
5-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 5-phenylthiophen-3-amine is sourced from PubChem (CID 15526291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).