4-(1-phenylsulfanylethylsulfanyl)aniline

C14H15NS2 — CID 89252445

IUPAC4-(1-phenylsulfanylethylsulfanyl)aniline
SMILESCC(Sc1ccccc1)Sc1ccc(N)cc1
InChIInChI=1S/C14H15NS2/c1-11(16-13-5-3-2-4-6-13)17-14-9-7-12(15)8-10-14/h2-11H,15H2,1H3
InChIKeyOPZIDKGSQRGQAZ-UHFFFAOYSA-N
MW261.42 g/mol
LogP4.50
Rot. Bonds4

About 4-(1-phenylsulfanylethylsulfanyl)aniline

4-(1-phenylsulfanylethylsulfanyl)aniline (PubChem CID 89252445) has the molecular formula C14H15NS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 4-(1-phenylsulfanylethylsulfanyl)aniline.

Molecular Properties

Compound Name4-(1-phenylsulfanylethylsulfanyl)aniline
PubChem CID89252445
Molecular FormulaC14H15NS2
Molecular Weight261.42 g/mol
Exact Mass261.06
IUPAC Name4-(1-phenylsulfanylethylsulfanyl)aniline
SMILESCC(Sc1ccccc1)Sc1ccc(N)cc1
InChIInChI=1S/C14H15NS2/c1-11(16-13-5-3-2-4-6-13)17-14-9-7-12(15)8-10-14/h2-11H,15H2,1H3
InChIKeyOPZIDKGSQRGQAZ-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
aniline;ethane;2-methylpropane
CID 158321840
aniline;propan-2-amine
CID 142091845
4-propan-2-ylsulfanylaniline;2,3,3-trimethylbutan-2-ol
CID 176999975
N-(4-amino-2-chlorophenyl)-2-phenylsulfanylpropanamide
CID 43107317
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
2-(4-aminophenyl)sulfanyl-2-phenylacetohydrazide
CID 63580914
4-[1-(2-chlorophenyl)sulfanylethyl]aniline
CID 61263538
3-(1-phenylethylsulfanyl)aniline
CID 23120267
N-[4-(4-aminophenyl)sulfanylpentyl]benzenesulfonamide
CID 67598790
4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
CID 67775594

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylsulfanylethylsulfanyl)aniline?
The IUPAC name of 4-(1-phenylsulfanylethylsulfanyl)aniline (CID 89252445) is 4-(1-phenylsulfanylethylsulfanyl)aniline.
What is the SMILES notation for 4-(1-phenylsulfanylethylsulfanyl)aniline?
The canonical SMILES for 4-(1-phenylsulfanylethylsulfanyl)aniline is CC(Sc1ccccc1)Sc1ccc(N)cc1.
What is the InChIKey of 4-(1-phenylsulfanylethylsulfanyl)aniline?
The InChIKey is OPZIDKGSQRGQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c1-11(16-13-5-3-2-4-6-13)17-14-9-7-12(15)8-10-14/h2-11H,15H2,1H3.
What are the key properties of 4-(1-phenylsulfanylethylsulfanyl)aniline?
4-(1-phenylsulfanylethylsulfanyl)aniline has a molecular weight of 261.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylsulfanylethylsulfanyl)aniline is sourced from PubChem (CID 89252445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).