1-bromo-2-(2-methylpropylsulfanylmethyl)pentane

C10H21BrS — CID 65011513

IUPAC1-bromo-2-(2-methylpropylsulfanylmethyl)pentane
SMILESCCCC(CBr)CSCC(C)C
InChIInChI=1S/C10H21BrS/c1-4-5-10(6-11)8-12-7-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyAZUBRXCEGKKKJR-UHFFFAOYSA-N
MW253.25 g/mol
LogP4.19
Rot. Bonds7

About 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane

1-bromo-2-(2-methylpropylsulfanylmethyl)pentane (PubChem CID 65011513) has the molecular formula C10H21BrS and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane.

Molecular Properties

Compound Name1-bromo-2-(2-methylpropylsulfanylmethyl)pentane
PubChem CID65011513
Molecular FormulaC10H21BrS
Molecular Weight253.25 g/mol
Exact Mass252.05
IUPAC Name1-bromo-2-(2-methylpropylsulfanylmethyl)pentane
SMILESCCCC(CBr)CSCC(C)C
InChIInChI=1S/C10H21BrS/c1-4-5-10(6-11)8-12-7-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyAZUBRXCEGKKKJR-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 54.19
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

1-bromo-2-(3-methylbutylsulfanylmethyl)butane
CID 107746956
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484
1-[2-(bromomethyl)pentylsulfanylmethyl]-2-chlorobenzene
CID 103288085
2-[2-(bromomethyl)pentylsulfanylmethyl]oxolane
CID 106493696
4-(bromomethyl)octane
CID 24880888
1-bromo-2-(propylsulfanylmethyl)butane
CID 65000454
3-(bromomethyl)-1-(2-methylpropoxy)hexane
CID 106459617
azane;4-(bromomethyl)octane
CID 88699989
ethane;1-ethylsulfanyl-2-methylpentane
CID 143279191
1-[2-(bromomethyl)pentylsulfanyl]-2-methylbenzene
CID 65011116
4-(bromomethyl)tridecane
CID 66049847
3-(bromomethyl)-5-methyloctane
CID 66041043

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane?
The IUPAC name of 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane (CID 65011513) is 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane.
What is the SMILES notation for 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane?
The canonical SMILES for 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane is CCCC(CBr)CSCC(C)C.
What is the InChIKey of 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane?
The InChIKey is AZUBRXCEGKKKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrS/c1-4-5-10(6-11)8-12-7-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane?
1-bromo-2-(2-methylpropylsulfanylmethyl)pentane has a molecular weight of 253.25 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methylpropylsulfanylmethyl)pentane is sourced from PubChem (CID 65011513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).