(2E)-2-(thiolan-3-ylidene)ethanol

C6H10OS — CID 14140761

IUPAC(2E)-2-(thiolan-3-ylidene)ethanol
SMILESOC/C=C1\CCSC1
InChIInChI=1S/C6H10OS/c7-3-1-6-2-4-8-5-6/h1,7H,2-5H2/b6-1+
InChIKeyDADULKUMGCHUBK-LZCJLJQNSA-N
MW130.21 g/mol
LogP1.04
Rot. Bonds1

About (2E)-2-(thiolan-3-ylidene)ethanol

(2E)-2-(thiolan-3-ylidene)ethanol (PubChem CID 14140761) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2E)-2-(thiolan-3-ylidene)ethanol.

Molecular Properties

Compound Name(2E)-2-(thiolan-3-ylidene)ethanol
PubChem CID14140761
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2E)-2-(thiolan-3-ylidene)ethanol
SMILESOC/C=C1\CCSC1
InChIInChI=1S/C6H10OS/c7-3-1-6-2-4-8-5-6/h1,7H,2-5H2/b6-1+
InChIKeyDADULKUMGCHUBK-LZCJLJQNSA-N
XLogP1.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(thiolan-3-ylidene)ethanol?
The IUPAC name of (2E)-2-(thiolan-3-ylidene)ethanol (CID 14140761) is (2E)-2-(thiolan-3-ylidene)ethanol.
What is the SMILES notation for (2E)-2-(thiolan-3-ylidene)ethanol?
The canonical SMILES for (2E)-2-(thiolan-3-ylidene)ethanol is OC/C=C1\CCSC1.
What is the InChIKey of (2E)-2-(thiolan-3-ylidene)ethanol?
The InChIKey is DADULKUMGCHUBK-LZCJLJQNSA-N. The full InChI is InChI=1S/C6H10OS/c7-3-1-6-2-4-8-5-6/h1,7H,2-5H2/b6-1+.
What are the key properties of (2E)-2-(thiolan-3-ylidene)ethanol?
(2E)-2-(thiolan-3-ylidene)ethanol has a molecular weight of 130.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(thiolan-3-ylidene)ethanol is sourced from PubChem (CID 14140761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).