3-ethyl-2-ethylsulfanyl-6-methylaniline

C11H17NS — CID 167071265

IUPAC3-ethyl-2-ethylsulfanyl-6-methylaniline
SMILESCCSc1c(CC)ccc(C)c1N
InChIInChI=1S/C11H17NS/c1-4-9-7-6-8(3)10(12)11(9)13-5-2/h6-7H,4-5,12H2,1-3H3
InChIKeyGPVKQKNPUNBFML-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.25
Rot. Bonds3

About 3-ethyl-2-ethylsulfanyl-6-methylaniline

3-ethyl-2-ethylsulfanyl-6-methylaniline (PubChem CID 167071265) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-ethyl-2-ethylsulfanyl-6-methylaniline.

Molecular Properties

Compound Name3-ethyl-2-ethylsulfanyl-6-methylaniline
PubChem CID167071265
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-ethyl-2-ethylsulfanyl-6-methylaniline
SMILESCCSc1c(CC)ccc(C)c1N
InChIInChI=1S/C11H17NS/c1-4-9-7-6-8(3)10(12)11(9)13-5-2/h6-7H,4-5,12H2,1-3H3
InChIKeyGPVKQKNPUNBFML-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4,6-bis(ethylsulfanyl)-2-methylbenzene-1,3-diamine
CID 18676367
2,4-diethyl-3-ethylsulfanylbenzoic acid
CID 125468277
1-ethyl-4-ethylsulfanyl-2-iodobenzene
CID 91876000
3-ethyl-6-methylpyridin-2-amine
CID 3016311
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
2,3,6-triethylaniline
CID 21412862
4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
CID 134575464
1,2-diethyl-3,4-dimethylbenzene
CID 590292
3-(methoxymethyl)-2,6-dimethylaniline
CID 13265347
4-ethylsulfanyl-2-iodo-1-methylbenzene
CID 91875999
2,3,6-trimethylaniline
CID 11958947
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-ethylsulfanyl-6-methylaniline?
The IUPAC name of 3-ethyl-2-ethylsulfanyl-6-methylaniline (CID 167071265) is 3-ethyl-2-ethylsulfanyl-6-methylaniline.
What is the SMILES notation for 3-ethyl-2-ethylsulfanyl-6-methylaniline?
The canonical SMILES for 3-ethyl-2-ethylsulfanyl-6-methylaniline is CCSc1c(CC)ccc(C)c1N.
What is the InChIKey of 3-ethyl-2-ethylsulfanyl-6-methylaniline?
The InChIKey is GPVKQKNPUNBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-9-7-6-8(3)10(12)11(9)13-5-2/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 3-ethyl-2-ethylsulfanyl-6-methylaniline?
3-ethyl-2-ethylsulfanyl-6-methylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-ethylsulfanyl-6-methylaniline is sourced from PubChem (CID 167071265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).