2-ethyl-6-prop-2-enylsulfanylaniline

C11H15NS — CID 139758072

IUPAC2-ethyl-6-prop-2-enylsulfanylaniline
SMILESC=CCSc1cccc(CC)c1N
InChIInChI=1S/C11H15NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3,5-7H,1,4,8,12H2,2H3
InChIKeyRHYWPMVQCSLJMY-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.11
Rot. Bonds4

About 2-ethyl-6-prop-2-enylsulfanylaniline

2-ethyl-6-prop-2-enylsulfanylaniline (PubChem CID 139758072) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-ethyl-6-prop-2-enylsulfanylaniline.

Molecular Properties

Compound Name2-ethyl-6-prop-2-enylsulfanylaniline
PubChem CID139758072
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-ethyl-6-prop-2-enylsulfanylaniline
SMILESC=CCSc1cccc(CC)c1N
InChIInChI=1S/C11H15NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3,5-7H,1,4,8,12H2,2H3
InChIKeyRHYWPMVQCSLJMY-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-prop-2-enylaniline
CID 11975891
2,6-diethylaniline;propane
CID 174429495
2,6-diethylaniline;iron(2+)
CID 175873065
5-methyl-2-prop-2-enylsulfanylaniline
CID 43302273
N-butan-2-yl-2-prop-2-enylsulfanylaniline
CID 60927744
2,3-bis(prop-2-enylsulfanyl)phenol
CID 70364584
1-ethenyl-2-prop-2-enylsulfanylbenzene
CID 69409682
2,4,6-tris(prop-2-enylsulfanyl)aniline
CID 70396918
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108
2-methyl-6-pent-4-enylsulfanylaniline
CID 79146389
(2S)-2-amino-3,3-dimethyl-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 61179400
1-phenyl-N-[(2-prop-2-enylsulfanylphenyl)methyl]methanamine
CID 24805522

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-prop-2-enylsulfanylaniline?
The IUPAC name of 2-ethyl-6-prop-2-enylsulfanylaniline (CID 139758072) is 2-ethyl-6-prop-2-enylsulfanylaniline.
What is the SMILES notation for 2-ethyl-6-prop-2-enylsulfanylaniline?
The canonical SMILES for 2-ethyl-6-prop-2-enylsulfanylaniline is C=CCSc1cccc(CC)c1N.
What is the InChIKey of 2-ethyl-6-prop-2-enylsulfanylaniline?
The InChIKey is RHYWPMVQCSLJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-8-13-10-7-5-6-9(4-2)11(10)12/h3,5-7H,1,4,8,12H2,2H3.
What are the key properties of 2-ethyl-6-prop-2-enylsulfanylaniline?
2-ethyl-6-prop-2-enylsulfanylaniline has a molecular weight of 193.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-prop-2-enylsulfanylaniline is sourced from PubChem (CID 139758072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).