2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline

C11H15NS — CID 143935296

IUPAC2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline
SMILESC/C=C(\SC)c1ccc(N)c(C)c1
InChIInChI=1S/C11H15NS/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h4-7H,12H2,1-3H3/b11-4-
InChIKeyQNWFEDLMEMEHNG-WCIBSUBMSA-N
MW193.31 g/mol
LogP3.30
Rot. Bonds2

About 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline

2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline (PubChem CID 143935296) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline
PubChem CID143935296
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline
SMILESC/C=C(\SC)c1ccc(N)c(C)c1
InChIInChI=1S/C11H15NS/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h4-7H,12H2,1-3H3/b11-4-
InChIKeyQNWFEDLMEMEHNG-WCIBSUBMSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.30
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-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline?
The IUPAC name of 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline (CID 143935296) is 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline.
What is the SMILES notation for 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline?
The canonical SMILES for 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline is C/C=C(\SC)c1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline?
The InChIKey is QNWFEDLMEMEHNG-WCIBSUBMSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-11(13-3)9-5-6-10(12)8(2)7-9/h4-7H,12H2,1-3H3/b11-4-.
What are the key properties of 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline?
2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline has a molecular weight of 193.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(Z)-1-methylsulfanylprop-1-enyl]aniline is sourced from PubChem (CID 143935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).