2-methylpropane-1-sulfinyl bromide

C4H9BrOS — CID 21408601

IUPAC2-methylpropane-1-sulfinyl bromide
SMILESCC(C)CS(=O)Br
InChIInChI=1S/C4H9BrOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3
InChIKeyDHZYQENDVYAOSE-UHFFFAOYSA-N
MW185.09 g/mol
LogP1.70
Rot. Bonds2

About 2-methylpropane-1-sulfinyl bromide

2-methylpropane-1-sulfinyl bromide (PubChem CID 21408601) has the molecular formula C4H9BrOS and a molecular weight of 185.09 g/mol. Its IUPAC name is 2-methylpropane-1-sulfinyl bromide.

Molecular Properties

Compound Name2-methylpropane-1-sulfinyl bromide
PubChem CID21408601
Molecular FormulaC4H9BrOS
Molecular Weight185.09 g/mol
Exact Mass183.96
IUPAC Name2-methylpropane-1-sulfinyl bromide
SMILESCC(C)CS(=O)Br
InChIInChI=1S/C4H9BrOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3
InChIKeyDHZYQENDVYAOSE-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1-sulfinyl bromide?
The IUPAC name of 2-methylpropane-1-sulfinyl bromide (CID 21408601) is 2-methylpropane-1-sulfinyl bromide.
What is the SMILES notation for 2-methylpropane-1-sulfinyl bromide?
The canonical SMILES for 2-methylpropane-1-sulfinyl bromide is CC(C)CS(=O)Br.
What is the InChIKey of 2-methylpropane-1-sulfinyl bromide?
The InChIKey is DHZYQENDVYAOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrOS/c1-4(2)3-7(5)6/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropane-1-sulfinyl bromide?
2-methylpropane-1-sulfinyl bromide has a molecular weight of 185.09 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-sulfinyl bromide is sourced from PubChem (CID 21408601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).