4-[(E)-3-phenylprop-2-enyl]sulfanylaniline

C15H15NS — CID 43299480

IUPAC4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
SMILESNc1ccc(SC/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H15NS/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11H,12,16H2/b7-4+
InChIKeyWPTXUSXJKROBEQ-QPJJXVBHSA-N
MW241.36 g/mol
LogP4.07
Rot. Bonds4

About 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline

4-[(E)-3-phenylprop-2-enyl]sulfanylaniline (PubChem CID 43299480) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline.

Molecular Properties

Compound Name4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
PubChem CID43299480
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name4-[(E)-3-phenylprop-2-enyl]sulfanylaniline
SMILESNc1ccc(SC/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H15NS/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11H,12,16H2/b7-4+
InChIKeyWPTXUSXJKROBEQ-QPJJXVBHSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.07
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

2-[4-(3-phenylprop-2-enylsulfanyl)phenyl]acetic acid
CID 77054679
1-[3-(3-phenylprop-2-enylsulfanyl)phenyl]ethanamine
CID 77055249
3-(3-phenylprop-2-enylsulfanyl)benzaldehyde
CID 77126428
4-(2-phenylethenyl)aniline
CID 13265
5-(3-phenylprop-2-enylsulfanyl)-1,3-thiazol-2-amine
CID 74315241
3-(disulfanyl)prop-1-enylbenzene
CID 173164677
[(E)-3-methylsulfanylprop-1-enyl]benzene
CID 5370626
4-[(E)-3-phenylprop-2-enyl]sulfanylpyridin-3-amine
CID 43300182
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
2-(4-aminophenyl)sulfanyl-1-phenylethanol
CID 51062435
4-(3-phenylprop-2-enylsulfanyl)-2H-triazole
CID 91941382
[(Z)-3-chloroprop-2-enyl]sulfanylbenzene
CID 6092909

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline?
The IUPAC name of 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline (CID 43299480) is 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline.
What is the SMILES notation for 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline?
The canonical SMILES for 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline is Nc1ccc(SC/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline?
The InChIKey is WPTXUSXJKROBEQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H15NS/c16-14-8-10-15(11-9-14)17-12-4-7-13-5-2-1-3-6-13/h1-11H,12,16H2/b7-4+.
What are the key properties of 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline?
4-[(E)-3-phenylprop-2-enyl]sulfanylaniline has a molecular weight of 241.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-phenylprop-2-enyl]sulfanylaniline is sourced from PubChem (CID 43299480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).