2-(2-bromoethylsulfanyl)naphthalene

C12H11BrS — CID 43519120

IUPAC2-(2-bromoethylsulfanyl)naphthalene
SMILESBrCCSc1ccc2ccccc2c1
InChIInChI=1S/C12H11BrS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyBJMMVPMJWBGOEW-UHFFFAOYSA-N
MW267.19 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-bromoethylsulfanyl)naphthalene

2-(2-bromoethylsulfanyl)naphthalene (PubChem CID 43519120) has the molecular formula C12H11BrS and a molecular weight of 267.19 g/mol. Its IUPAC name is 2-(2-bromoethylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(2-bromoethylsulfanyl)naphthalene
PubChem CID43519120
Molecular FormulaC12H11BrS
Molecular Weight267.19 g/mol
Exact Mass265.98
IUPAC Name2-(2-bromoethylsulfanyl)naphthalene
SMILESBrCCSc1ccc2ccccc2c1
InChIInChI=1S/C12H11BrS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyBJMMVPMJWBGOEW-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.19
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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2-[2-(3-bromophenoxy)ethylsulfanyl]naphthalene
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2-bromo-N-(2-naphthalen-2-ylsulfanylethyl)aniline
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formic acid;2-propylsulfanylnaphthalene
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4-(2-naphthalen-2-ylsulfanylethyl)pyridine
CID 3627632
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylsulfanyl)naphthalene?
The IUPAC name of 2-(2-bromoethylsulfanyl)naphthalene (CID 43519120) is 2-(2-bromoethylsulfanyl)naphthalene.
What is the SMILES notation for 2-(2-bromoethylsulfanyl)naphthalene?
The canonical SMILES for 2-(2-bromoethylsulfanyl)naphthalene is BrCCSc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-bromoethylsulfanyl)naphthalene?
The InChIKey is BJMMVPMJWBGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 2-(2-bromoethylsulfanyl)naphthalene?
2-(2-bromoethylsulfanyl)naphthalene has a molecular weight of 267.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfanyl)naphthalene is sourced from PubChem (CID 43519120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).