ethyl methylsulfanylmethoxy carbonate

C5H10O4S — CID 54520644

IUPACethyl methylsulfanylmethoxy carbonate
SMILESCCOC(=O)OOCSC
InChIInChI=1S/C5H10O4S/c1-3-7-5(6)9-8-4-10-2/h3-4H2,1-2H3
InChIKeyYPODELPLVZKPCY-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.41
Rot. Bonds4

About ethyl methylsulfanylmethoxy carbonate

ethyl methylsulfanylmethoxy carbonate (PubChem CID 54520644) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is ethyl methylsulfanylmethoxy carbonate.

Molecular Properties

Compound Nameethyl methylsulfanylmethoxy carbonate
PubChem CID54520644
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Nameethyl methylsulfanylmethoxy carbonate
SMILESCCOC(=O)OOCSC
InChIInChI=1S/C5H10O4S/c1-3-7-5(6)9-8-4-10-2/h3-4H2,1-2H3
InChIKeyYPODELPLVZKPCY-UHFFFAOYSA-N
XLogP1.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze ethyl methylsulfanylmethoxy carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;ethoxy ethyl carbonate;hydride
CID 173249184
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
diethyl carbonate;ethane-1,2-diol
CID 19764063
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl acetate;methylsulfanylethane
CID 90948635
ethyl sulfino carbonate
CID 57236503
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
CID 12530393
ethyl fluoro carbonate
CID 18542699
ethoxycarbonyl 2,2-diethylbutanoate
CID 174363813

Frequently Asked Questions

What is the IUPAC name of ethyl methylsulfanylmethoxy carbonate?
The IUPAC name of ethyl methylsulfanylmethoxy carbonate (CID 54520644) is ethyl methylsulfanylmethoxy carbonate.
What is the SMILES notation for ethyl methylsulfanylmethoxy carbonate?
The canonical SMILES for ethyl methylsulfanylmethoxy carbonate is CCOC(=O)OOCSC.
What is the InChIKey of ethyl methylsulfanylmethoxy carbonate?
The InChIKey is YPODELPLVZKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c1-3-7-5(6)9-8-4-10-2/h3-4H2,1-2H3.
What are the key properties of ethyl methylsulfanylmethoxy carbonate?
ethyl methylsulfanylmethoxy carbonate has a molecular weight of 166.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl methylsulfanylmethoxy carbonate is sourced from PubChem (CID 54520644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).