(3R,4S)-1,1-dioxothiolane-3,4-diol

C4H8O4S — CID 1270002

IUPAC(3R,4S)-1,1-dioxothiolane-3,4-diol
SMILESO=S1(=O)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeyLDVDYVUZEKIBDP-ZXZARUISSA-N
MW152.17 g/mol
LogP-1.86
Rot. Bonds

About (3R,4S)-1,1-dioxothiolane-3,4-diol

(3R,4S)-1,1-dioxothiolane-3,4-diol (PubChem CID 1270002) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is (3R,4S)-1,1-dioxothiolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1,1-dioxothiolane-3,4-diol
PubChem CID1270002
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name(3R,4S)-1,1-dioxothiolane-3,4-diol
SMILESO=S1(=O)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKeyLDVDYVUZEKIBDP-ZXZARUISSA-N
XLogP-1.86
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-1,1-dioxothiolane-3,4-diol 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

3-Hydroxysulfolane
CID 98932
(3R)-3-hydroxy-1lambda6-thiolane-1,1-dione
CID 7059047
3-Hydroxy-4-methanesulfonyl-1lambda6-thiolane-1,1-dione
CID 2736578
3-Hydroxy-4-methoxy-1lambda~6~-thiolane-1,1-dione
CID 209859
trans-Tetrahydrothiophene-3,4-diol 1,1-dioxide
CID 1270001
3,4-Dihydroxysulfolane
CID 85693
rac-(3R,4R)-3,4-dihydroxy-1lambda6-thiolane-1,1-dione
CID 7059048
(S)-3-(2-hydroxyethoxy)-1lambda-tetrahydro-1H-thiophene-1,1-dione
CID 7059094
3-Thiophenesulfonic acid, tetrahydro-4-hydroxy-, 1,1-dioxide
CID 3113022
Thiophene-2-ol, tetrahydro-, 1,1-dioxide
CID 18987500
3-Methylsulfolane-2,3-diol
CID 129790950
4-Fluoro-1,1-dioxothiolan-3-ol
CID 105530036

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,1-dioxothiolane-3,4-diol?
The IUPAC name of (3R,4S)-1,1-dioxothiolane-3,4-diol (CID 1270002) is (3R,4S)-1,1-dioxothiolane-3,4-diol.
What is the SMILES notation for (3R,4S)-1,1-dioxothiolane-3,4-diol?
The canonical SMILES for (3R,4S)-1,1-dioxothiolane-3,4-diol is O=S1(=O)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-1,1-dioxothiolane-3,4-diol?
The InChIKey is LDVDYVUZEKIBDP-ZXZARUISSA-N. The full InChI is InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4+.
What are the key properties of (3R,4S)-1,1-dioxothiolane-3,4-diol?
(3R,4S)-1,1-dioxothiolane-3,4-diol has a molecular weight of 152.17 g/mol, XLogP of -1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,1-dioxothiolane-3,4-diol is sourced from PubChem (CID 1270002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).