2-(2-bromoethylsulfanylmethyl)oxolane

C7H13BrOS — CID 106493710

IUPAC2-(2-bromoethylsulfanylmethyl)oxolane
SMILESBrCCSCC1CCCO1
InChIInChI=1S/C7H13BrOS/c8-3-5-10-6-7-2-1-4-9-7/h7H,1-6H2
InChIKeyXANLOSTYFPDORG-UHFFFAOYSA-N
MW225.15 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-bromoethylsulfanylmethyl)oxolane

2-(2-bromoethylsulfanylmethyl)oxolane (PubChem CID 106493710) has the molecular formula C7H13BrOS and a molecular weight of 225.15 g/mol. Its IUPAC name is 2-(2-bromoethylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(2-bromoethylsulfanylmethyl)oxolane
PubChem CID106493710
Molecular FormulaC7H13BrOS
Molecular Weight225.15 g/mol
Exact Mass223.99
IUPAC Name2-(2-bromoethylsulfanylmethyl)oxolane
SMILESBrCCSCC1CCCO1
InChIInChI=1S/C7H13BrOS/c8-3-5-10-6-7-2-1-4-9-7/h7H,1-6H2
InChIKeyXANLOSTYFPDORG-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
3-Ethylsulfanyl-2-methyloxolane
CID 130991564
2-(Ethylsulfanylmethyl)oxolane
CID 12640998
1-Bromo-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106493693
2-[(3-Bromo-2-methylpropyl)sulfanylmethyl]oxolane
CID 106493695
2-(5-Bromopentylsulfanylmethyl)oxolane
CID 106493701
2-(9-Bromononylsulfanylmethyl)oxolane
CID 106493709
2-(3-Bromopropylsulfanylmethyl)oxolane
CID 106493711
2-(4-Bromobutylsulfanylmethyl)oxolane
CID 106493712
2-[(3-Bromo-2,2-dimethylpropyl)sulfanylmethyl]oxolane
CID 106493714
3-(5-Bromopentylsulfanyl)-2-methyloxolane
CID 107746808
3-(3-Bromo-2-methylpropyl)sulfanyl-2-methyloxolane
CID 107746814

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylsulfanylmethyl)oxolane?
The IUPAC name of 2-(2-bromoethylsulfanylmethyl)oxolane (CID 106493710) is 2-(2-bromoethylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(2-bromoethylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(2-bromoethylsulfanylmethyl)oxolane is BrCCSCC1CCCO1.
What is the InChIKey of 2-(2-bromoethylsulfanylmethyl)oxolane?
The InChIKey is XANLOSTYFPDORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrOS/c8-3-5-10-6-7-2-1-4-9-7/h7H,1-6H2.
What are the key properties of 2-(2-bromoethylsulfanylmethyl)oxolane?
2-(2-bromoethylsulfanylmethyl)oxolane has a molecular weight of 225.15 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfanylmethyl)oxolane is sourced from PubChem (CID 106493710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).