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

C4H8O4S — CID 7059048

IUPAC(3S,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-/m1/s1
InChIKeyLDVDYVUZEKIBDP-QWWZWVQMSA-N
MW152.17 g/mol
LogP-1.86
Rot. Bonds

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

(3S,4S)-1,1-dioxothiolane-3,4-diol (PubChem CID 7059048) has the molecular formula C4H8O4S and a molecular weight of 152.17 g/mol. Its IUPAC name is (3S,4S)-1,1-dioxothiolane-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1,1-dioxothiolane-3,4-diol
PubChem CID7059048
Molecular FormulaC4H8O4S
Molecular Weight152.17 g/mol
Exact Mass152.01
IUPAC Name(3S,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-/m1/s1
InChIKeyLDVDYVUZEKIBDP-QWWZWVQMSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,1-dioxothiolane-3,4-diol?
The IUPAC name of (3S,4S)-1,1-dioxothiolane-3,4-diol (CID 7059048) is (3S,4S)-1,1-dioxothiolane-3,4-diol.
What is the SMILES notation for (3S,4S)-1,1-dioxothiolane-3,4-diol?
The canonical SMILES for (3S,4S)-1,1-dioxothiolane-3,4-diol is O=S1(=O)C[C@@H](O)[C@H](O)C1.
What is the InChIKey of (3S,4S)-1,1-dioxothiolane-3,4-diol?
The InChIKey is LDVDYVUZEKIBDP-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (3S,4S)-1,1-dioxothiolane-3,4-diol?
(3S,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 (3S,4S)-1,1-dioxothiolane-3,4-diol is sourced from PubChem (CID 7059048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).