(3S)-1,1-dioxothiolan-3-ol

C4H8O3S — CID 98144245

IUPAC(3S)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC[C@H]([18OH])C1
InChIInChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1/i5+2
InChIKeyAMXKVIWWXBYXRS-QRTGCQPVSA-N
MW138.17 g/mol
LogP-0.83
Rot. Bonds

About (3S)-1,1-dioxothiolan-3-ol

(3S)-1,1-dioxothiolan-3-ol (PubChem CID 98144245) has the molecular formula C4H8O3S and a molecular weight of 138.17 g/mol. Its IUPAC name is (3S)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S)-1,1-dioxothiolan-3-ol
PubChem CID98144245
Molecular FormulaC4H8O3S
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC Name(3S)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC[C@H]([18OH])C1
InChIInChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1/i5+2
InChIKeyAMXKVIWWXBYXRS-QRTGCQPVSA-N
XLogP-0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-oxa-3λ6-thiabicyclo[4.1.0]heptane 3,3-dioxide
CID 21498592
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
(3S,4R)-1,1-dioxothiane-3,4-diamine
CID 124661417
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201
(3R)-3-cyclohexyloxythiolane 1,1-dioxide
CID 7039067
bis(1,1-dioxothiolan-3-yl) carbonate
CID 2835679
(1,1-dioxothiolan-3-yl) formate
CID 90943234
3-cyclohexyloxythiolane 1,1-dioxide
CID 4585423
(3R)-N-[[[(3R)-1,1-dioxothiolan-3-yl]amino]-[[(3S)-1,1-dioxothiolan-3-yl]amino]phosphoryl]-1,1-dioxothiolan-3-amine
CID 98143335
[(3R)-1,1-dioxothiolan-3-yl] sulfate
CID 7058872
(3S)-3-ethoxythiolane 1,1-dioxide
CID 40511911

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S)-1,1-dioxothiolan-3-ol (CID 98144245) is (3S)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S)-1,1-dioxothiolan-3-ol is O=S1(=O)CC[C@H]([18OH])C1.
What is the InChIKey of (3S)-1,1-dioxothiolan-3-ol?
The InChIKey is AMXKVIWWXBYXRS-QRTGCQPVSA-N. The full InChI is InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m0/s1/i5+2.
What are the key properties of (3S)-1,1-dioxothiolan-3-ol?
(3S)-1,1-dioxothiolan-3-ol has a molecular weight of 138.17 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 98144245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).