4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline

C14H15N3OS — CID 12707723

IUPAC4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline
SMILESCOc1ccc(N/N=N/CSc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-15-11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,15,16)
InChIKeyCPEGEFKRKNPGCO-UHFFFAOYSA-N
MW273.36 g/mol
LogP4.22
Rot. Bonds6

About 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline

4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline (PubChem CID 12707723) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline
PubChem CID12707723
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline
SMILESCOc1ccc(N/N=N/CSc2ccccc2)cc1
InChIInChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-15-11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,15,16)
InChIKeyCPEGEFKRKNPGCO-UHFFFAOYSA-N
XLogP4.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

2,6-dimethoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline
CID 134935246
4-methoxy-N-(propan-2-yldiazenyl)aniline
CID 19905788
4-(4-methoxyphenyl)-1-phenylsulfanylbutan-2-amine
CID 65444591
4-(4-methoxyphenyl)-N-[(E)-2-phenylsulfanylethylideneamino]-1,3-thiazol-2-amine
CID 155540204
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-methoxy-N-(1-phenyl-2-phenylsulfanyl-1-pyridin-2-ylethyl)aniline
CID 171481976
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100591769
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
(4-methoxyphenyl)methyl 2-phenylsulfanylacetate
CID 533038

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline?
The IUPAC name of 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline (CID 12707723) is 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline is COc1ccc(N/N=N/CSc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline?
The InChIKey is CPEGEFKRKNPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-18-13-9-7-12(8-10-13)16-17-15-11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline?
4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline has a molecular weight of 273.36 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-phenylsulfanylmethyldiazenyl]aniline is sourced from PubChem (CID 12707723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).