N,N-diethyl-2-ethylsulfanylaniline

C12H19NS — CID 102432030

IUPACN,N-diethyl-2-ethylsulfanylaniline
SMILESCCSc1ccccc1N(CC)CC
InChIInChI=1S/C12H19NS/c1-4-13(5-2)11-9-7-8-10-12(11)14-6-3/h7-10H,4-6H2,1-3H3
InChIKeyYFDJEHNDGZLRKJ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.64
Rot. Bonds5

About N,N-diethyl-2-ethylsulfanylaniline

N,N-diethyl-2-ethylsulfanylaniline (PubChem CID 102432030) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N,N-diethyl-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN,N-diethyl-2-ethylsulfanylaniline
PubChem CID102432030
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN,N-diethyl-2-ethylsulfanylaniline
SMILESCCSc1ccccc1N(CC)CC
InChIInChI=1S/C12H19NS/c1-4-13(5-2)11-9-7-8-10-12(11)14-6-3/h7-10H,4-6H2,1-3H3
InChIKeyYFDJEHNDGZLRKJ-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-ethylsulfanylaniline?
The IUPAC name of N,N-diethyl-2-ethylsulfanylaniline (CID 102432030) is N,N-diethyl-2-ethylsulfanylaniline.
What is the SMILES notation for N,N-diethyl-2-ethylsulfanylaniline?
The canonical SMILES for N,N-diethyl-2-ethylsulfanylaniline is CCSc1ccccc1N(CC)CC.
What is the InChIKey of N,N-diethyl-2-ethylsulfanylaniline?
The InChIKey is YFDJEHNDGZLRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-13(5-2)11-9-7-8-10-12(11)14-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-2-ethylsulfanylaniline?
N,N-diethyl-2-ethylsulfanylaniline has a molecular weight of 209.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-ethylsulfanylaniline is sourced from PubChem (CID 102432030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).