(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol

C9H12OS2 — CID 134889640

IUPAC(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@H]1C=C1SCCS1
InChIInChI=1S/C9H12OS2/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,6-8,10H,3-5H2/t7-,8-/m0/s1
InChIKeyJAOLWQQRUVRXSD-YUMQZZPRSA-N
MW200.33 g/mol
LogP2.24
Rot. Bonds1

About (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol

(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol (PubChem CID 134889640) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol
PubChem CID134889640
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol
SMILESO[C@H]1CC=C[C@H]1C=C1SCCS1
InChIInChI=1S/C9H12OS2/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,6-8,10H,3-5H2/t7-,8-/m0/s1
InChIKeyJAOLWQQRUVRXSD-YUMQZZPRSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-2-[(E)-prop-1-enyl]thiolan-3-ol
CID 14433338

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol?
The IUPAC name of (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol (CID 134889640) is (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol.
What is the SMILES notation for (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol?
The canonical SMILES for (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol is O[C@H]1CC=C[C@H]1C=C1SCCS1.
What is the InChIKey of (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol?
The InChIKey is JAOLWQQRUVRXSD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H12OS2/c10-8-3-1-2-7(8)6-9-11-4-5-12-9/h1-2,6-8,10H,3-5H2/t7-,8-/m0/s1.
What are the key properties of (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol?
(1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol has a molecular weight of 200.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(1,3-dithiolan-2-ylidenemethyl)cyclopent-3-en-1-ol is sourced from PubChem (CID 134889640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).