N-ethyl-2-ethylsulfanylaniline

C10H15NS — CID 12859986

IUPACN-ethyl-2-ethylsulfanylaniline
SMILESCCNc1ccccc1SCC
InChIInChI=1S/C10H15NS/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8,11H,3-4H2,1-2H3
InChIKeyMJSPKLXARJQCNN-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.23
Rot. Bonds4

About N-ethyl-2-ethylsulfanylaniline

N-ethyl-2-ethylsulfanylaniline (PubChem CID 12859986) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanylaniline
PubChem CID12859986
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-2-ethylsulfanylaniline
SMILESCCNc1ccccc1SCC
InChIInChI=1S/C10H15NS/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8,11H,3-4H2,1-2H3
InChIKeyMJSPKLXARJQCNN-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanylaniline?
The IUPAC name of N-ethyl-2-ethylsulfanylaniline (CID 12859986) is N-ethyl-2-ethylsulfanylaniline.
What is the SMILES notation for N-ethyl-2-ethylsulfanylaniline?
The canonical SMILES for N-ethyl-2-ethylsulfanylaniline is CCNc1ccccc1SCC.
What is the InChIKey of N-ethyl-2-ethylsulfanylaniline?
The InChIKey is MJSPKLXARJQCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8,11H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfanylaniline?
N-ethyl-2-ethylsulfanylaniline has a molecular weight of 181.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanylaniline is sourced from PubChem (CID 12859986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).