2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol

C8H12O2S — CID 57294019

IUPAC2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol
SMILESOCC=C1CSCC1=CCO
InChIInChI=1S/C8H12O2S/c9-3-1-7-5-11-6-8(7)2-4-10/h1-2,9-10H,3-6H2
InChIKeyNFHUZSICCZLDKR-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.57
Rot. Bonds2

About 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol

2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol (PubChem CID 57294019) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol
PubChem CID57294019
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol
SMILESOCC=C1CSCC1=CCO
InChIInChI=1S/C8H12O2S/c9-3-1-7-5-11-6-8(7)2-4-10/h1-2,9-10H,3-6H2
InChIKeyNFHUZSICCZLDKR-UHFFFAOYSA-N
XLogP0.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol?
The IUPAC name of 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol (CID 57294019) is 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol.
What is the SMILES notation for 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol?
The canonical SMILES for 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol is OCC=C1CSCC1=CCO.
What is the InChIKey of 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol?
The InChIKey is NFHUZSICCZLDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c9-3-1-7-5-11-6-8(7)2-4-10/h1-2,9-10H,3-6H2.
What are the key properties of 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol?
2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol has a molecular weight of 172.25 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylidene)thiolan-3-ylidene]ethanol is sourced from PubChem (CID 57294019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).