2-(3-bromopropylsulfanylmethyl)oxolane

C8H15BrOS — CID 106493711

IUPAC2-(3-bromopropylsulfanylmethyl)oxolane
SMILESBrCCCSCC1CCCO1
InChIInChI=1S/C8H15BrOS/c9-4-2-6-11-7-8-3-1-5-10-8/h8H,1-7H2
InChIKeyVFQBMKKRTYPMRB-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.68
Rot. Bonds5

About 2-(3-bromopropylsulfanylmethyl)oxolane

2-(3-bromopropylsulfanylmethyl)oxolane (PubChem CID 106493711) has the molecular formula C8H15BrOS and a molecular weight of 239.18 g/mol. Its IUPAC name is 2-(3-bromopropylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name2-(3-bromopropylsulfanylmethyl)oxolane
PubChem CID106493711
Molecular FormulaC8H15BrOS
Molecular Weight239.18 g/mol
Exact Mass238.00
IUPAC Name2-(3-bromopropylsulfanylmethyl)oxolane
SMILESBrCCCSCC1CCCO1
InChIInChI=1S/C8H15BrOS/c9-4-2-6-11-7-8-3-1-5-10-8/h8H,1-7H2
InChIKeyVFQBMKKRTYPMRB-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.68
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

(3S,4S,5R)-2-bromo-4-butoxy-5-(butoxymethyl)-3-fluorothiolane
CID 118120914
2-[(2-Bromo-3,3,3-trifluoropropyl)sulfanylmethyl]oxolane
CID 106493705
2-[(5-Bromo-3-methylpentyl)sulfanylmethyl]oxolane
CID 106493690
1-Bromo-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106493693
2-[(3-Bromo-2-methylpropyl)sulfanylmethyl]oxolane
CID 106493695
2-[2-(Bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
2-(5-Bromopentylsulfanylmethyl)oxolane
CID 106493701
2-[2-(Bromomethyl)butylsulfanylmethyl]oxolane
CID 106493706
2-(9-Bromononylsulfanylmethyl)oxolane
CID 106493709
2-(2-Bromoethylsulfanylmethyl)oxolane
CID 106493710
2-(4-Bromobutylsulfanylmethyl)oxolane
CID 106493712
2-[(3-Bromo-2,2-dimethylpropyl)sulfanylmethyl]oxolane
CID 106493714

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropylsulfanylmethyl)oxolane?
The IUPAC name of 2-(3-bromopropylsulfanylmethyl)oxolane (CID 106493711) is 2-(3-bromopropylsulfanylmethyl)oxolane.
What is the SMILES notation for 2-(3-bromopropylsulfanylmethyl)oxolane?
The canonical SMILES for 2-(3-bromopropylsulfanylmethyl)oxolane is BrCCCSCC1CCCO1.
What is the InChIKey of 2-(3-bromopropylsulfanylmethyl)oxolane?
The InChIKey is VFQBMKKRTYPMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrOS/c9-4-2-6-11-7-8-3-1-5-10-8/h8H,1-7H2.
What are the key properties of 2-(3-bromopropylsulfanylmethyl)oxolane?
2-(3-bromopropylsulfanylmethyl)oxolane has a molecular weight of 239.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfanylmethyl)oxolane is sourced from PubChem (CID 106493711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).