2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol

C7H10OS — CID 45357962

IUPAC2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol
SMILESOCCC1=CC=CC1S
InChIInChI=1S/C7H10OS/c8-5-4-6-2-1-3-7(6)9/h1-3,7-9H,4-5H2
InChIKeyMFCIMOFDGZHQAD-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.16
Rot. Bonds2

About 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol

2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol (PubChem CID 45357962) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol
PubChem CID45357962
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol
SMILESOCCC1=CC=CC1S
InChIInChI=1S/C7H10OS/c8-5-4-6-2-1-3-7(6)9/h1-3,7-9H,4-5H2
InChIKeyMFCIMOFDGZHQAD-UHFFFAOYSA-N
XLogP1.16
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol?
The IUPAC name of 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol (CID 45357962) is 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol.
What is the SMILES notation for 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol?
The canonical SMILES for 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol is OCCC1=CC=CC1S.
What is the InChIKey of 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol?
The InChIKey is MFCIMOFDGZHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c8-5-4-6-2-1-3-7(6)9/h1-3,7-9H,4-5H2.
What are the key properties of 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol?
2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol has a molecular weight of 142.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-sulfanylcyclopenta-1,3-dien-1-yl)ethanol is sourced from PubChem (CID 45357962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).