thiolane-3,4-diol

C4H8O2S — CID 19596996

IUPACthiolane-3,4-diol
SMILESOC1CSCC1O
InChIInChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2
InChIKeyWONPWMKTZAPWSP-UHFFFAOYSA-N
MW120.17 g/mol
LogP-0.55
Rot. Bonds

About thiolane-3,4-diol

thiolane-3,4-diol (PubChem CID 19596996) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is thiolane-3,4-diol.

Molecular Properties

Compound Namethiolane-3,4-diol
PubChem CID19596996
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Namethiolane-3,4-diol
SMILESOC1CSCC1O
InChIInChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2
InChIKeyWONPWMKTZAPWSP-UHFFFAOYSA-N
XLogP-0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiolane-3,4-diol?
The IUPAC name of thiolane-3,4-diol (CID 19596996) is thiolane-3,4-diol.
What is the SMILES notation for thiolane-3,4-diol?
The canonical SMILES for thiolane-3,4-diol is OC1CSCC1O.
What is the InChIKey of thiolane-3,4-diol?
The InChIKey is WONPWMKTZAPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c5-3-1-7-2-4(3)6/h3-6H,1-2H2.
What are the key properties of thiolane-3,4-diol?
thiolane-3,4-diol has a molecular weight of 120.17 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane-3,4-diol is sourced from PubChem (CID 19596996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).