2-(2-azidoethylsulfanyl)naphthalene

C12H11N3S — CID 55220418

IUPAC2-(2-azidoethylsulfanyl)naphthalene
SMILES[N-]=[N+]=NCCSc1ccc2ccccc2c1
InChIInChI=1S/C12H11N3S/c13-15-14-7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyMIBCXEBELXIHIW-UHFFFAOYSA-N
MW229.31 g/mol
LogP4.24
Rot. Bonds4

About 2-(2-azidoethylsulfanyl)naphthalene

2-(2-azidoethylsulfanyl)naphthalene (PubChem CID 55220418) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(2-azidoethylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(2-azidoethylsulfanyl)naphthalene
PubChem CID55220418
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-(2-azidoethylsulfanyl)naphthalene
SMILES[N-]=[N+]=NCCSc1ccc2ccccc2c1
InChIInChI=1S/C12H11N3S/c13-15-14-7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyMIBCXEBELXIHIW-UHFFFAOYSA-N
XLogP4.24
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
10-azidodecylsulfanylbenzene
CID 134842747
2-(4-chlorobutylsulfanyl)naphthalene
CID 63501641
2-(2-azidoethylsulfonyl)naphthalene
CID 61396912
2-[2-(3-bromophenoxy)ethylsulfanyl]naphthalene
CID 60623877
3-azido-1-naphthalen-2-ylpropane-1,2-diol
CID 170826208
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
formic acid;2-propylsulfanylnaphthalene
CID 143073136
2-hex-5-ynylsulfanylnaphthalene
CID 150332529
4-(2-naphthalen-2-ylsulfanylethyl)pyridine
CID 3627632
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
2-(methoxymethylsulfanyl)naphthalene
CID 54008940

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylsulfanyl)naphthalene?
The IUPAC name of 2-(2-azidoethylsulfanyl)naphthalene (CID 55220418) is 2-(2-azidoethylsulfanyl)naphthalene.
What is the SMILES notation for 2-(2-azidoethylsulfanyl)naphthalene?
The canonical SMILES for 2-(2-azidoethylsulfanyl)naphthalene is [N-]=[N+]=NCCSc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-azidoethylsulfanyl)naphthalene?
The InChIKey is MIBCXEBELXIHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-15-14-7-8-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 2-(2-azidoethylsulfanyl)naphthalene?
2-(2-azidoethylsulfanyl)naphthalene has a molecular weight of 229.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylsulfanyl)naphthalene is sourced from PubChem (CID 55220418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).