[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate

C12H18O8S3 — CID 12571134

IUPAC[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate
SMILESCC(=O)OC1CS(=O)(=O)CC1SC1CS(=O)(=O)CC1OC(C)=O
InChIInChI=1S/C12H18O8S3/c1-7(13)19-9-3-22(15,16)5-11(9)21-12-6-23(17,18)4-10(12)20-8(2)14/h9-12H,3-6H2,1-2H3
InChIKeyOTVQJXWWFLOHCR-UHFFFAOYSA-N
MW386.47 g/mol
LogP-0.82
Rot. Bonds4

About [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate

[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate (PubChem CID 12571134) has the molecular formula C12H18O8S3 and a molecular weight of 386.47 g/mol. Its IUPAC name is [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate.

Molecular Properties

Compound Name[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate
PubChem CID12571134
Molecular FormulaC12H18O8S3
Molecular Weight386.47 g/mol
Exact Mass386.02
IUPAC Name[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate
SMILESCC(=O)OC1CS(=O)(=O)CC1SC1CS(=O)(=O)CC1OC(C)=O
InChIInChI=1S/C12H18O8S3/c1-7(13)19-9-3-22(15,16)5-11(9)21-12-6-23(17,18)4-10(12)20-8(2)14/h9-12H,3-6H2,1-2H3
InChIKeyOTVQJXWWFLOHCR-UHFFFAOYSA-N
XLogP-0.82
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate 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

[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl] acetate
CID 6994876
[(3S,4S)-4-nitro-1,1-dioxothiolan-3-yl] acetate
CID 40531556
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(3S,4R)-4-carbonochloridoyloxy-1,1-dioxothiolan-3-yl] carbonochloridate
CID 98144247
(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(3S,5S)-4,5-diacetyloxyselenan-3-yl] acetate
CID 11738808
(3-methyl-2,2-dioxooxathiolan-4-yl) acetate
CID 90002753
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl] acetate
CID 1268036
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
[(1R,2S,6S,7S,8S,9R)-9-bromo-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]decan-8-yl] acetate
CID 10758232

Frequently Asked Questions

What is the IUPAC name of [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate?
The IUPAC name of [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate (CID 12571134) is [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate.
What is the SMILES notation for [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate?
The canonical SMILES for [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate is CC(=O)OC1CS(=O)(=O)CC1SC1CS(=O)(=O)CC1OC(C)=O.
What is the InChIKey of [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate?
The InChIKey is OTVQJXWWFLOHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8S3/c1-7(13)19-9-3-22(15,16)5-11(9)21-12-6-23(17,18)4-10(12)20-8(2)14/h9-12H,3-6H2,1-2H3.
What are the key properties of [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate?
[4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate has a molecular weight of 386.47 g/mol, XLogP of -0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetyloxy-1,1-dioxothiolan-3-yl)sulfanyl-1,1-dioxothiolan-3-yl] acetate is sourced from PubChem (CID 12571134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).