methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate

C7H16O3S — CID 155022771

IUPACmethyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
SMILESCOC(=O)OCCS(C)(C)C
InChIInChI=1S/C7H16O3S/c1-9-7(8)10-5-6-11(2,3)4/h5-6H2,1-4H3
InChIKeyJMOPNHCZQRUSQY-UHFFFAOYSA-N
MW180.27 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate

methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate (PubChem CID 155022771) has the molecular formula C7H16O3S and a molecular weight of 180.27 g/mol. Its IUPAC name is methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate.

Molecular Properties

Compound Namemethyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
PubChem CID155022771
Molecular FormulaC7H16O3S
Molecular Weight180.27 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
SMILESCOC(=O)OCCS(C)(C)C
InChIInChI=1S/C7H16O3S/c1-9-7(8)10-5-6-11(2,3)4/h5-6H2,1-4H3
InChIKeyJMOPNHCZQRUSQY-UHFFFAOYSA-N
XLogP1.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate?
The IUPAC name of methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate (CID 155022771) is methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate.
What is the SMILES notation for methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate?
The canonical SMILES for methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate is COC(=O)OCCS(C)(C)C.
What is the InChIKey of methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate?
The InChIKey is JMOPNHCZQRUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S/c1-9-7(8)10-5-6-11(2,3)4/h5-6H2,1-4H3.
What are the key properties of methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate?
methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate has a molecular weight of 180.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate is sourced from PubChem (CID 155022771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).