ethyl 2-phenylsulfonothioyloxyacetate

C10H12O4S2 — CID 23464249

IUPACethyl 2-phenylsulfonothioyloxyacetate
SMILESCCOC(=O)COS(=O)(=S)c1ccccc1
InChIInChI=1S/C10H12O4S2/c1-2-13-10(11)8-14-16(12,15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVAUNWDQQXBDRHY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.29
Rot. Bonds5

About ethyl 2-phenylsulfonothioyloxyacetate

ethyl 2-phenylsulfonothioyloxyacetate (PubChem CID 23464249) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 2-phenylsulfonothioyloxyacetate.

Molecular Properties

Compound Nameethyl 2-phenylsulfonothioyloxyacetate
PubChem CID23464249
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Nameethyl 2-phenylsulfonothioyloxyacetate
SMILESCCOC(=O)COS(=O)(=S)c1ccccc1
InChIInChI=1S/C10H12O4S2/c1-2-13-10(11)8-14-16(12,15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVAUNWDQQXBDRHY-UHFFFAOYSA-N
XLogP1.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-phenylsulfonothioyloxyacetate 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

oxo-phenyl-(3-phenylsulfonothioyloxypropoxy)-sulfanylidene-λ6-sulfane
CID 142626649
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-[[benzenesulfonyl(cyano)methylidene]amino]oxyacetate
CID 169099140
CID 174637974
CID 174637974
ethyl 2-[2-(2-benzylsulfonyloxyethoxy)ethoxy]acetate
CID 141499088
ethyl 2-[benzenesulfonyl(2-oxopropyl)amino]acetate
CID 42807608
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-phenylacetate
CID 7590
ethyl 3-amino-3-(benzenesulfonylhydrazinylidene)propanoate
CID 5192357
ethyl 2-[4-[2-(benzenesulfonamido)propan-2-yl]phenoxy]acetate
CID 19851069
ethyl 2-[3-[methyl(phenyl)sulfamoyl]phenoxy]acetate
CID 140968028
ethyl benzenesulfonylmethanimidate
CID 20849990

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylsulfonothioyloxyacetate?
The IUPAC name of ethyl 2-phenylsulfonothioyloxyacetate (CID 23464249) is ethyl 2-phenylsulfonothioyloxyacetate.
What is the SMILES notation for ethyl 2-phenylsulfonothioyloxyacetate?
The canonical SMILES for ethyl 2-phenylsulfonothioyloxyacetate is CCOC(=O)COS(=O)(=S)c1ccccc1.
What is the InChIKey of ethyl 2-phenylsulfonothioyloxyacetate?
The InChIKey is VAUNWDQQXBDRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c1-2-13-10(11)8-14-16(12,15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-phenylsulfonothioyloxyacetate?
ethyl 2-phenylsulfonothioyloxyacetate has a molecular weight of 260.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylsulfonothioyloxyacetate is sourced from PubChem (CID 23464249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).