2-(thiophen-2-ylsulfanylmethyl)aniline

C11H11NS2 — CID 28602800

IUPAC2-(thiophen-2-ylsulfanylmethyl)aniline
SMILESNc1ccccc1CSc1cccs1
InChIInChI=1S/C11H11NS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-7H,8,12H2
InChIKeyKYVOJIHEPWCZGF-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.62
Rot. Bonds3

About 2-(thiophen-2-ylsulfanylmethyl)aniline

2-(thiophen-2-ylsulfanylmethyl)aniline (PubChem CID 28602800) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(thiophen-2-ylsulfanylmethyl)aniline.

Molecular Properties

Compound Name2-(thiophen-2-ylsulfanylmethyl)aniline
PubChem CID28602800
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name2-(thiophen-2-ylsulfanylmethyl)aniline
SMILESNc1ccccc1CSc1cccs1
InChIInChI=1S/C11H11NS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-7H,8,12H2
InChIKeyKYVOJIHEPWCZGF-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)aniline?
The IUPAC name of 2-(thiophen-2-ylsulfanylmethyl)aniline (CID 28602800) is 2-(thiophen-2-ylsulfanylmethyl)aniline.
What is the SMILES notation for 2-(thiophen-2-ylsulfanylmethyl)aniline?
The canonical SMILES for 2-(thiophen-2-ylsulfanylmethyl)aniline is Nc1ccccc1CSc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylsulfanylmethyl)aniline?
The InChIKey is KYVOJIHEPWCZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c12-10-5-2-1-4-9(10)8-14-11-6-3-7-13-11/h1-7H,8,12H2.
What are the key properties of 2-(thiophen-2-ylsulfanylmethyl)aniline?
2-(thiophen-2-ylsulfanylmethyl)aniline has a molecular weight of 221.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylsulfanylmethyl)aniline is sourced from PubChem (CID 28602800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).