(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol

C5H10O4S2 — CID 124931899

IUPAC(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol
SMILESC[S@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C5H10O4S2/c1-10(7)5-3-11(8,9)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+,10-/m0/s1
InChIKeyRRHUIWXPMZWPME-LYAQYDMKSA-N
MW198.26 g/mol
LogP-1.48
Rot. Bonds1

About (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol

(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol (PubChem CID 124931899) has the molecular formula C5H10O4S2 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol
PubChem CID124931899
Molecular FormulaC5H10O4S2
Molecular Weight198.26 g/mol
Exact Mass198.00
IUPAC Name(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol
SMILESC[S@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C5H10O4S2/c1-10(7)5-3-11(8,9)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+,10-/m0/s1
InChIKeyRRHUIWXPMZWPME-LYAQYDMKSA-N
XLogP-1.48
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
CID 3831220
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-methylazanium
CID 7059078
(3S,4R)-4-amino-1,1-dioxothiolan-3-ol
CID 1380000
(3S,4S)-4-(2-methoxyethylamino)-1,1-dioxothiolan-3-ol
CID 6347761
(3R,4R)-4-methylsulfonyl-1,1-dioxothiolan-3-ol
CID 2317794
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
(3R,4R)-1,1-dioxo-4-(prop-2-ynylamino)thiolan-3-ol
CID 51889343
(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol?
The IUPAC name of (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol (CID 124931899) is (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol is C[S@](=O)[C@@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol?
The InChIKey is RRHUIWXPMZWPME-LYAQYDMKSA-N. The full InChI is InChI=1S/C5H10O4S2/c1-10(7)5-3-11(8,9)2-4(5)6/h4-6H,2-3H2,1H3/t4-,5+,10-/m0/s1.
What are the key properties of (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol?
(3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol has a molecular weight of 198.26 g/mol, XLogP of -1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(S)-methylsulfinyl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 124931899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).