2-(3-bromopropylsulfanyl)-2-methylpropane

C7H15BrS — CID 15323068

IUPAC2-(3-bromopropylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCCBr
InChIInChI=1S/C7H15BrS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChIKeyQESAOLFAFYVLJP-UHFFFAOYSA-N
MW211.17 g/mol
LogP3.30
Rot. Bonds3

About 2-(3-bromopropylsulfanyl)-2-methylpropane

2-(3-bromopropylsulfanyl)-2-methylpropane (PubChem CID 15323068) has the molecular formula C7H15BrS and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-(3-bromopropylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name2-(3-bromopropylsulfanyl)-2-methylpropane
PubChem CID15323068
Molecular FormulaC7H15BrS
Molecular Weight211.17 g/mol
Exact Mass210.01
IUPAC Name2-(3-bromopropylsulfanyl)-2-methylpropane
SMILESCC(C)(C)SCCCBr
InChIInChI=1S/C7H15BrS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChIKeyQESAOLFAFYVLJP-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropylsulfanyl)-2-methylpropane?
The IUPAC name of 2-(3-bromopropylsulfanyl)-2-methylpropane (CID 15323068) is 2-(3-bromopropylsulfanyl)-2-methylpropane.
What is the SMILES notation for 2-(3-bromopropylsulfanyl)-2-methylpropane?
The canonical SMILES for 2-(3-bromopropylsulfanyl)-2-methylpropane is CC(C)(C)SCCCBr.
What is the InChIKey of 2-(3-bromopropylsulfanyl)-2-methylpropane?
The InChIKey is QESAOLFAFYVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BrS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3.
What are the key properties of 2-(3-bromopropylsulfanyl)-2-methylpropane?
2-(3-bromopropylsulfanyl)-2-methylpropane has a molecular weight of 211.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfanyl)-2-methylpropane is sourced from PubChem (CID 15323068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).