1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane

C11H23BrS — CID 107746900

IUPAC1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane
SMILESCC(C)C(CBr)CSC(C)C(C)C
InChIInChI=1S/C11H23BrS/c1-8(2)10(5)13-7-11(6-12)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyJHLYJHUFUVUGOR-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.43
Rot. Bonds6

About 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane

1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane (PubChem CID 107746900) has the molecular formula C11H23BrS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane.

Molecular Properties

Compound Name1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane
PubChem CID107746900
Molecular FormulaC11H23BrS
Molecular Weight267.28 g/mol
Exact Mass266.07
IUPAC Name1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane
SMILESCC(C)C(CBr)CSC(C)C(C)C
InChIInChI=1S/C11H23BrS/c1-8(2)10(5)13-7-11(6-12)9(3)4/h8-11H,6-7H2,1-5H3
InChIKeyJHLYJHUFUVUGOR-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.43
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-3-methyl-2-(methylsulfanylmethyl)butane
CID 65012065
2-(4-bromobutylsulfanyl)-3-methylbutane
CID 107746902
3-hydroxy-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107746256
N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine
CID 107754136
1-[2-(bromomethyl)-3-methylbutyl]sulfanyl-2-chlorobenzene
CID 65012063
2-[2-(bromomethyl)-3-methylbutyl]sulfanylnaphthalene
CID 65011948
2-[2-(bromomethyl)-3-methylbutyl]sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106921044
2-[[2-(bromomethyl)-3-methylbutyl]sulfanylmethyl]oxolane
CID 106493716
1-bromo-3-methyl-2-(methylsulfonylmethyl)butane
CID 65013227
5-(bromomethyl)-2,2,6-trimethylheptane
CID 66043444
ethane;2-(ethyldisulfanyl)-3-methylbutane
CID 169266959
1-bromo-2-methyl-3-propan-2-ylsulfanylpropane
CID 64996086

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane?
The IUPAC name of 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane (CID 107746900) is 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane.
What is the SMILES notation for 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane?
The canonical SMILES for 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane is CC(C)C(CBr)CSC(C)C(C)C.
What is the InChIKey of 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane?
The InChIKey is JHLYJHUFUVUGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrS/c1-8(2)10(5)13-7-11(6-12)9(3)4/h8-11H,6-7H2,1-5H3.
What are the key properties of 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane?
1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane has a molecular weight of 267.28 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane is sourced from PubChem (CID 107746900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).