2-cyclopropyl-6-ethylsulfanylaniline

C11H15NS — CID 142320158

IUPAC2-cyclopropyl-6-ethylsulfanylaniline
SMILESCCSc1cccc(C2CC2)c1N
InChIInChI=1S/C11H15NS/c1-2-13-10-5-3-4-9(11(10)12)8-6-7-8/h3-5,8H,2,6-7,12H2,1H3
InChIKeyVNGHBSGTRPTGGU-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.26
Rot. Bonds3

About 2-cyclopropyl-6-ethylsulfanylaniline

2-cyclopropyl-6-ethylsulfanylaniline (PubChem CID 142320158) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethylsulfanylaniline.

Molecular Properties

Compound Name2-cyclopropyl-6-ethylsulfanylaniline
PubChem CID142320158
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-cyclopropyl-6-ethylsulfanylaniline
SMILESCCSc1cccc(C2CC2)c1N
InChIInChI=1S/C11H15NS/c1-2-13-10-5-3-4-9(11(10)12)8-6-7-8/h3-5,8H,2,6-7,12H2,1H3
InChIKeyVNGHBSGTRPTGGU-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.26
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 2-cyclopropyl-6-ethylsulfanylaniline?
The IUPAC name of 2-cyclopropyl-6-ethylsulfanylaniline (CID 142320158) is 2-cyclopropyl-6-ethylsulfanylaniline.
What is the SMILES notation for 2-cyclopropyl-6-ethylsulfanylaniline?
The canonical SMILES for 2-cyclopropyl-6-ethylsulfanylaniline is CCSc1cccc(C2CC2)c1N.
What is the InChIKey of 2-cyclopropyl-6-ethylsulfanylaniline?
The InChIKey is VNGHBSGTRPTGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-13-10-5-3-4-9(11(10)12)8-6-7-8/h3-5,8H,2,6-7,12H2,1H3.
What are the key properties of 2-cyclopropyl-6-ethylsulfanylaniline?
2-cyclopropyl-6-ethylsulfanylaniline has a molecular weight of 193.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethylsulfanylaniline is sourced from PubChem (CID 142320158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).