4-(furan-3-ylmethyl)thiolan-3-ol

C9H12O2S — CID 83190401

IUPAC4-(furan-3-ylmethyl)thiolan-3-ol
SMILESOC1CSCC1Cc1ccoc1
InChIInChI=1S/C9H12O2S/c10-9-6-12-5-8(9)3-7-1-2-11-4-7/h1-2,4,8-10H,3,5-6H2
InChIKeyDQRLTLNLEBOMQM-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.55
Rot. Bonds2

About 4-(furan-3-ylmethyl)thiolan-3-ol

4-(furan-3-ylmethyl)thiolan-3-ol (PubChem CID 83190401) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-(furan-3-ylmethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(furan-3-ylmethyl)thiolan-3-ol
PubChem CID83190401
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name4-(furan-3-ylmethyl)thiolan-3-ol
SMILESOC1CSCC1Cc1ccoc1
InChIInChI=1S/C9H12O2S/c10-9-6-12-5-8(9)3-7-1-2-11-4-7/h1-2,4,8-10H,3,5-6H2
InChIKeyDQRLTLNLEBOMQM-UHFFFAOYSA-N
XLogP1.55
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-ylmethyl)thiolan-3-ol?
The IUPAC name of 4-(furan-3-ylmethyl)thiolan-3-ol (CID 83190401) is 4-(furan-3-ylmethyl)thiolan-3-ol.
What is the SMILES notation for 4-(furan-3-ylmethyl)thiolan-3-ol?
The canonical SMILES for 4-(furan-3-ylmethyl)thiolan-3-ol is OC1CSCC1Cc1ccoc1.
What is the InChIKey of 4-(furan-3-ylmethyl)thiolan-3-ol?
The InChIKey is DQRLTLNLEBOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c10-9-6-12-5-8(9)3-7-1-2-11-4-7/h1-2,4,8-10H,3,5-6H2.
What are the key properties of 4-(furan-3-ylmethyl)thiolan-3-ol?
4-(furan-3-ylmethyl)thiolan-3-ol has a molecular weight of 184.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-ylmethyl)thiolan-3-ol is sourced from PubChem (CID 83190401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).