2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline

C16H16N2S — CID 154221003

IUPAC2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline
SMILESNc1ccccc1C=CSC=Cc1ccccc1N
InChIInChI=1S/C16H16N2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-12H,17-18H2
InChIKeySHNDQLRXANGNLR-UHFFFAOYSA-N
MW268.39 g/mol
LogP4.23
Rot. Bonds4

About 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline

2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline (PubChem CID 154221003) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline.

Molecular Properties

Compound Name2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline
PubChem CID154221003
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline
SMILESNc1ccccc1C=CSC=Cc1ccccc1N
InChIInChI=1S/C16H16N2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-12H,17-18H2
InChIKeySHNDQLRXANGNLR-UHFFFAOYSA-N
XLogP4.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E)-buta-1,3-dienyl]aniline
CID 12715427
ethane;2-[(E)-prop-1-enyl]aniline
CID 90823299
2-[(E)-2-(2-aminophenyl)ethenyl]aniline;bis(dihydroxy(oxo)phosphanium)
CID 88516542
2-(3-aminoprop-1-enyl)aniline
CID 67152713
2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
CID 70478273
(2-aminophenyl)methylidenetungsten
CID 20722813
(E)-2-(2-aminophenyl)ethenesulfonamide
CID 95562297
2-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 70367525
2-(cyclohexylidenemethyl)aniline
CID 19754672
[(Z)-2-[(E)-2-phenylethenyl]sulfanylethenyl]benzene
CID 11276469
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline?
The IUPAC name of 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline (CID 154221003) is 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline.
What is the SMILES notation for 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline?
The canonical SMILES for 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline is Nc1ccccc1C=CSC=Cc1ccccc1N.
What is the InChIKey of 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline?
The InChIKey is SHNDQLRXANGNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c17-15-7-3-1-5-13(15)9-11-19-12-10-14-6-2-4-8-16(14)18/h1-12H,17-18H2.
What are the key properties of 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline?
2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline has a molecular weight of 268.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminophenyl)ethenylsulfanyl]ethenyl]aniline is sourced from PubChem (CID 154221003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).