bromo-ethenyl-dimethyl-λ4-sulfane

C4H9BrS — CID 134996536

IUPACbromo-ethenyl-dimethyl-λ4-sulfane
SMILESC=CS(C)(C)Br
InChIInChI=1S/C4H9BrS/c1-4-6(2,3)5/h4H,1H2,2-3H3
InChIKeyKBSQHSINPHSJQC-UHFFFAOYSA-N
MW169.09 g/mol
LogP2.50
Rot. Bonds1

About bromo-ethenyl-dimethyl-λ4-sulfane

bromo-ethenyl-dimethyl-λ4-sulfane (PubChem CID 134996536) has the molecular formula C4H9BrS and a molecular weight of 169.09 g/mol. Its IUPAC name is bromo-ethenyl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namebromo-ethenyl-dimethyl-λ4-sulfane
PubChem CID134996536
Molecular FormulaC4H9BrS
Molecular Weight169.09 g/mol
Exact Mass167.96
IUPAC Namebromo-ethenyl-dimethyl-λ4-sulfane
SMILESC=CS(C)(C)Br
InChIInChI=1S/C4H9BrS/c1-4-6(2,3)5/h4H,1H2,2-3H3
InChIKeyKBSQHSINPHSJQC-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bromo-ethenyl-dimethyl-λ4-sulfane?
The IUPAC name of bromo-ethenyl-dimethyl-λ4-sulfane (CID 134996536) is bromo-ethenyl-dimethyl-λ4-sulfane.
What is the SMILES notation for bromo-ethenyl-dimethyl-λ4-sulfane?
The canonical SMILES for bromo-ethenyl-dimethyl-λ4-sulfane is C=CS(C)(C)Br.
What is the InChIKey of bromo-ethenyl-dimethyl-λ4-sulfane?
The InChIKey is KBSQHSINPHSJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrS/c1-4-6(2,3)5/h4H,1H2,2-3H3.
What are the key properties of bromo-ethenyl-dimethyl-λ4-sulfane?
bromo-ethenyl-dimethyl-λ4-sulfane has a molecular weight of 169.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-ethenyl-dimethyl-λ4-sulfane is sourced from PubChem (CID 134996536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).