3,4-di(ethylidene)thiolane-2,5-diol

C8H12O2S — CID 57036265

IUPAC3,4-di(ethylidene)thiolane-2,5-diol
SMILESCC=C1C(=CC)C(O)SC1O
InChIInChI=1S/C8H12O2S/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4,7-10H,1-2H3
InChIKeyBLDNPNFGQJQDQS-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.26
Rot. Bonds

About 3,4-di(ethylidene)thiolane-2,5-diol

3,4-di(ethylidene)thiolane-2,5-diol (PubChem CID 57036265) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 3,4-di(ethylidene)thiolane-2,5-diol.

Molecular Properties

Compound Name3,4-di(ethylidene)thiolane-2,5-diol
PubChem CID57036265
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name3,4-di(ethylidene)thiolane-2,5-diol
SMILESCC=C1C(=CC)C(O)SC1O
InChIInChI=1S/C8H12O2S/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4,7-10H,1-2H3
InChIKeyBLDNPNFGQJQDQS-UHFFFAOYSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(ethylidene)thiolane-2,5-diol?
The IUPAC name of 3,4-di(ethylidene)thiolane-2,5-diol (CID 57036265) is 3,4-di(ethylidene)thiolane-2,5-diol.
What is the SMILES notation for 3,4-di(ethylidene)thiolane-2,5-diol?
The canonical SMILES for 3,4-di(ethylidene)thiolane-2,5-diol is CC=C1C(=CC)C(O)SC1O.
What is the InChIKey of 3,4-di(ethylidene)thiolane-2,5-diol?
The InChIKey is BLDNPNFGQJQDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-5-6(4-2)8(10)11-7(5)9/h3-4,7-10H,1-2H3.
What are the key properties of 3,4-di(ethylidene)thiolane-2,5-diol?
3,4-di(ethylidene)thiolane-2,5-diol has a molecular weight of 172.25 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(ethylidene)thiolane-2,5-diol is sourced from PubChem (CID 57036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).