1-oxothiolane-3,4-diol

C4H8O3S — CID 54128797

IUPAC1-oxothiolane-3,4-diol
SMILESO=S1CC(O)C(O)C1
InChIInChI=1S/C4H8O3S/c5-3-1-8(7)2-4(3)6/h3-6H,1-2H2
InChIKeyNSVLVHKWTAPUSU-UHFFFAOYSA-N
MW136.17 g/mol
LogP-1.53
Rot. Bonds

About 1-oxothiolane-3,4-diol

1-oxothiolane-3,4-diol (PubChem CID 54128797) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-oxothiolane-3,4-diol.

Molecular Properties

Compound Name1-oxothiolane-3,4-diol
PubChem CID54128797
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name1-oxothiolane-3,4-diol
SMILESO=S1CC(O)C(O)C1
InChIInChI=1S/C4H8O3S/c5-3-1-8(7)2-4(3)6/h3-6H,1-2H2
InChIKeyNSVLVHKWTAPUSU-UHFFFAOYSA-N
XLogP-1.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7059047
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CID 209859
CID 209859
CID 1270001
CID 1270001
CID 85693
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CID 15869436
CID 15869436
CID 7059048
CID 7059048
CID 19596996
CID 19596996
CID 102626
CID 102626
CID 11378476
CID 11378476
CID 1270002
CID 1270002
CID 7005977
CID 7005977

Frequently Asked Questions

What is the IUPAC name of 1-oxothiolane-3,4-diol?
The IUPAC name of 1-oxothiolane-3,4-diol (CID 54128797) is 1-oxothiolane-3,4-diol.
What is the SMILES notation for 1-oxothiolane-3,4-diol?
The canonical SMILES for 1-oxothiolane-3,4-diol is O=S1CC(O)C(O)C1.
What is the InChIKey of 1-oxothiolane-3,4-diol?
The InChIKey is NSVLVHKWTAPUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-3-1-8(7)2-4(3)6/h3-6H,1-2H2.
What are the key properties of 1-oxothiolane-3,4-diol?
1-oxothiolane-3,4-diol has a molecular weight of 136.17 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothiolane-3,4-diol is sourced from PubChem (CID 54128797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).