3-(5-chlorothiophen-2-yl)aniline

C10H8ClNS — CID 22724175

IUPAC3-(5-chlorothiophen-2-yl)aniline
SMILESNc1cccc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H8ClNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h1-6H,12H2
InChIKeyISZVVHQNSZUPDH-UHFFFAOYSA-N
MW209.70 g/mol
LogP3.65
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)aniline

3-(5-chlorothiophen-2-yl)aniline (PubChem CID 22724175) has the molecular formula C10H8ClNS and a molecular weight of 209.70 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)aniline.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)aniline
PubChem CID22724175
Molecular FormulaC10H8ClNS
Molecular Weight209.70 g/mol
Exact Mass209.01
IUPAC Name3-(5-chlorothiophen-2-yl)aniline
SMILESNc1cccc(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H8ClNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h1-6H,12H2
InChIKeyISZVVHQNSZUPDH-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)aniline?
The IUPAC name of 3-(5-chlorothiophen-2-yl)aniline (CID 22724175) is 3-(5-chlorothiophen-2-yl)aniline.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)aniline?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)aniline is Nc1cccc(-c2ccc(Cl)s2)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)aniline?
The InChIKey is ISZVVHQNSZUPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS/c11-10-5-4-9(13-10)7-2-1-3-8(12)6-7/h1-6H,12H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)aniline?
3-(5-chlorothiophen-2-yl)aniline has a molecular weight of 209.70 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)aniline is sourced from PubChem (CID 22724175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).