(E)-thiolan-2-ylidenemethanol

C5H8OS — CID 139383072

IUPAC(E)-thiolan-2-ylidenemethanol
SMILESO/C=C1\CCCS1
InChIInChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h4,6H,1-3H2/b5-4+
InChIKeyCPCDASVVJVEAFH-SNAWJCMRSA-N
MW116.19 g/mol
LogP1.91
Rot. Bonds

About (E)-thiolan-2-ylidenemethanol

(E)-thiolan-2-ylidenemethanol (PubChem CID 139383072) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is (E)-thiolan-2-ylidenemethanol.

Molecular Properties

Compound Name(E)-thiolan-2-ylidenemethanol
PubChem CID139383072
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name(E)-thiolan-2-ylidenemethanol
SMILESO/C=C1\CCCS1
InChIInChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h4,6H,1-3H2/b5-4+
InChIKeyCPCDASVVJVEAFH-SNAWJCMRSA-N
XLogP1.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-thiolan-2-ylidenemethanol?
The IUPAC name of (E)-thiolan-2-ylidenemethanol (CID 139383072) is (E)-thiolan-2-ylidenemethanol.
What is the SMILES notation for (E)-thiolan-2-ylidenemethanol?
The canonical SMILES for (E)-thiolan-2-ylidenemethanol is O/C=C1\CCCS1.
What is the InChIKey of (E)-thiolan-2-ylidenemethanol?
The InChIKey is CPCDASVVJVEAFH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H8OS/c6-4-5-2-1-3-7-5/h4,6H,1-3H2/b5-4+.
What are the key properties of (E)-thiolan-2-ylidenemethanol?
(E)-thiolan-2-ylidenemethanol has a molecular weight of 116.19 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-thiolan-2-ylidenemethanol is sourced from PubChem (CID 139383072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).