1-(2-azidoethoxy)-2-methylsulfanylbenzene

C9H11N3OS — CID 63648483

IUPAC1-(2-azidoethoxy)-2-methylsulfanylbenzene
SMILESCSc1ccccc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H11N3OS/c1-14-9-5-3-2-4-8(9)13-7-6-11-12-10/h2-5H,6-7H2,1H3
InChIKeyIZPBGFUFGWFOEQ-UHFFFAOYSA-N
MW209.27 g/mol
LogP3.10
Rot. Bonds5

About 1-(2-azidoethoxy)-2-methylsulfanylbenzene

1-(2-azidoethoxy)-2-methylsulfanylbenzene (PubChem CID 63648483) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-2-methylsulfanylbenzene
PubChem CID63648483
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(2-azidoethoxy)-2-methylsulfanylbenzene
SMILESCSc1ccccc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H11N3OS/c1-14-9-5-3-2-4-8(9)13-7-6-11-12-10/h2-5H,6-7H2,1H3
InChIKeyIZPBGFUFGWFOEQ-UHFFFAOYSA-N
XLogP3.10
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylsulfanylphenoxy)propan-1-ol
CID 63648478
1-(2-azidoethoxy)-2,3-dimethylbenzene
CID 61397204
1-(2-azidoethoxy)-2-ethylbenzene;carbon dioxide
CID 158971807
1-but-3-ynoxy-2-methylsulfanylbenzene
CID 63649311
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
methyl 3-(2-methylsulfanylphenoxy)propanoate
CID 63648637
1-[2-(2-hexoxyethoxy)ethoxy]-2-methylsulfanylbenzene
CID 58828233
8-(2-azidoethoxy)quinoline
CID 55137163
2,2-dimethyl-4-(2-methylsulfanylphenoxy)butanoic acid
CID 65247827
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane
CID 102501795
2-methyl-N-[2-(2-methylsulfanylphenoxy)ethyl]butan-2-amine
CID 63649567

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-2-methylsulfanylbenzene?
The IUPAC name of 1-(2-azidoethoxy)-2-methylsulfanylbenzene (CID 63648483) is 1-(2-azidoethoxy)-2-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-azidoethoxy)-2-methylsulfanylbenzene?
The canonical SMILES for 1-(2-azidoethoxy)-2-methylsulfanylbenzene is CSc1ccccc1OCCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethoxy)-2-methylsulfanylbenzene?
The InChIKey is IZPBGFUFGWFOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-14-9-5-3-2-4-8(9)13-7-6-11-12-10/h2-5H,6-7H2,1H3.
What are the key properties of 1-(2-azidoethoxy)-2-methylsulfanylbenzene?
1-(2-azidoethoxy)-2-methylsulfanylbenzene has a molecular weight of 209.27 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-2-methylsulfanylbenzene is sourced from PubChem (CID 63648483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).