methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate

C5H11BrO2S — CID 548371

IUPACmethyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate
SMILESCOC(=O)CS(C)(C)Br
InChIInChI=1S/C5H11BrO2S/c1-8-5(7)4-9(2,3)6/h4H2,1-3H3
InChIKeyHRGGVYCGYXTCPJ-UHFFFAOYSA-N
MW215.11 g/mol
LogP1.53
Rot. Bonds2

About methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate

methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate (PubChem CID 548371) has the molecular formula C5H11BrO2S and a molecular weight of 215.11 g/mol. Its IUPAC name is methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate
PubChem CID548371
Molecular FormulaC5H11BrO2S
Molecular Weight215.11 g/mol
Exact Mass213.97
IUPAC Namemethyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate
SMILESCOC(=O)CS(C)(C)Br
InChIInChI=1S/C5H11BrO2S/c1-8-5(7)4-9(2,3)6/h4H2,1-3H3
InChIKeyHRGGVYCGYXTCPJ-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate?
The IUPAC name of methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate (CID 548371) is methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate.
What is the SMILES notation for methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate?
The canonical SMILES for methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate is COC(=O)CS(C)(C)Br.
What is the InChIKey of methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate?
The InChIKey is HRGGVYCGYXTCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO2S/c1-8-5(7)4-9(2,3)6/h4H2,1-3H3.
What are the key properties of methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate?
methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate has a molecular weight of 215.11 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bromo(dimethyl)-lambda4-sulfanyl]acetate is sourced from PubChem (CID 548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).