bis(1,1-dioxothiolan-3-yl) carbonate

C9H14O7S2 — CID 2835679

IUPACbis(1,1-dioxothiolan-3-yl) carbonate
SMILESO=C(OC1CCS(=O)(=O)C1)OC1CCS(=O)(=O)C1
InChIInChI=1S/C9H14O7S2/c10-9(15-7-1-3-17(11,12)5-7)16-8-2-4-18(13,14)6-8/h7-8H,1-6H2
InChIKeyZNQHWEDDOLROQJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.49
Rot. Bonds2

About bis(1,1-dioxothiolan-3-yl) carbonate

bis(1,1-dioxothiolan-3-yl) carbonate (PubChem CID 2835679) has the molecular formula C9H14O7S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is bis(1,1-dioxothiolan-3-yl) carbonate.

Molecular Properties

Compound Namebis(1,1-dioxothiolan-3-yl) carbonate
PubChem CID2835679
Molecular FormulaC9H14O7S2
Molecular Weight298.34 g/mol
Exact Mass298.02
IUPAC Namebis(1,1-dioxothiolan-3-yl) carbonate
SMILESO=C(OC1CCS(=O)(=O)C1)OC1CCS(=O)(=O)C1
InChIInChI=1S/C9H14O7S2/c10-9(15-7-1-3-17(11,12)5-7)16-8-2-4-18(13,14)6-8/h7-8H,1-6H2
InChIKeyZNQHWEDDOLROQJ-UHFFFAOYSA-N
XLogP-0.49
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,1-dioxothiolan-3-yl) prop-2-enoate
CID 54012913
[(3S)-1,1-dioxothiolan-3-yl] 4-methylbenzoate
CID 40530092
3-but-2-en-2-yloxythiolane 1,1-dioxide
CID 70631356
(1,1-dioxothiolan-3-yl) 5-bromofuran-2-carboxylate
CID 3129050
(1,1-dioxothiolan-3-yl) N-amino-N-methylsulfonylcarbamate
CID 167046402
(1,1-dioxothiolan-3-yl) N-(4-fluorobenzoyl)carbamate
CID 4637284
(1,1-dioxothiolan-3-yl) N-amino-N-ethenylsulfonylcarbamate
CID 167046399
(1,1-dioxothiolan-3-yl) N-amino-N-dimethoxyphosphorylcarbamate
CID 167046451
(1,1-dioxothiolan-3-yl) 5-tert-butylthiophene-2-carboxylate
CID 86779390
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
(1,1-dioxothiolan-3-yl) formate
CID 90943234
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067

Frequently Asked Questions

What is the IUPAC name of bis(1,1-dioxothiolan-3-yl) carbonate?
The IUPAC name of bis(1,1-dioxothiolan-3-yl) carbonate (CID 2835679) is bis(1,1-dioxothiolan-3-yl) carbonate.
What is the SMILES notation for bis(1,1-dioxothiolan-3-yl) carbonate?
The canonical SMILES for bis(1,1-dioxothiolan-3-yl) carbonate is O=C(OC1CCS(=O)(=O)C1)OC1CCS(=O)(=O)C1.
What is the InChIKey of bis(1,1-dioxothiolan-3-yl) carbonate?
The InChIKey is ZNQHWEDDOLROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O7S2/c10-9(15-7-1-3-17(11,12)5-7)16-8-2-4-18(13,14)6-8/h7-8H,1-6H2.
What are the key properties of bis(1,1-dioxothiolan-3-yl) carbonate?
bis(1,1-dioxothiolan-3-yl) carbonate has a molecular weight of 298.34 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1-dioxothiolan-3-yl) carbonate is sourced from PubChem (CID 2835679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).