N-(2-benzylsulfanylethyldiazenyl)aniline

C15H17N3S — CID 14447318

IUPACN-(2-benzylsulfanylethyldiazenyl)aniline
SMILESc1ccc(CSCC/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3S/c1-3-7-14(8-4-1)13-19-12-11-16-18-17-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17)
InChIKeyPJGSYLLSDBVDIX-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.40
Rot. Bonds7

About N-(2-benzylsulfanylethyldiazenyl)aniline

N-(2-benzylsulfanylethyldiazenyl)aniline (PubChem CID 14447318) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyldiazenyl)aniline.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyldiazenyl)aniline
PubChem CID14447318
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(2-benzylsulfanylethyldiazenyl)aniline
SMILESc1ccc(CSCC/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C15H17N3S/c1-3-7-14(8-4-1)13-19-12-11-16-18-17-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17)
InChIKeyPJGSYLLSDBVDIX-UHFFFAOYSA-N
XLogP4.40
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
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benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
2-fluoroethylsulfanylmethylbenzene
CID 15639805
2-benzylsulfanylethyl(trifluoro)silane
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2,4,6-tris(2-benzylsulfanylethoxy)-1,3,5-triazine
CID 139880663
1-(2-benzylsulfanylethyl)-3-cyano-2-methylguanidine
CID 10399781
4-(2-benzylsulfanylethyl)phenol
CID 160730782
4-(2-benzylsulfanylethyl)pyridine chloride
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1-(4-anilinophenyl)-3-(2-benzylsulfanylethyl)thiourea
CID 100569550

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyldiazenyl)aniline?
The IUPAC name of N-(2-benzylsulfanylethyldiazenyl)aniline (CID 14447318) is N-(2-benzylsulfanylethyldiazenyl)aniline.
What is the SMILES notation for N-(2-benzylsulfanylethyldiazenyl)aniline?
The canonical SMILES for N-(2-benzylsulfanylethyldiazenyl)aniline is c1ccc(CSCC/N=N/Nc2ccccc2)cc1.
What is the InChIKey of N-(2-benzylsulfanylethyldiazenyl)aniline?
The InChIKey is PJGSYLLSDBVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-7-14(8-4-1)13-19-12-11-16-18-17-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,16,17).
What are the key properties of N-(2-benzylsulfanylethyldiazenyl)aniline?
N-(2-benzylsulfanylethyldiazenyl)aniline has a molecular weight of 271.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyldiazenyl)aniline is sourced from PubChem (CID 14447318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).