spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]

C8H12S — CID 163917413

IUPACspiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]
SMILESC1CCC2(C1)CC1SC12
InChIInChI=1S/C8H12S/c1-2-4-8(3-1)5-6-7(8)9-6/h6-7H,1-5H2
InChIKeyQXLPSAGNBSQLPZ-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.43
Rot. Bonds

About spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]

spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] (PubChem CID 163917413) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane].

Molecular Properties

Compound Namespiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]
PubChem CID163917413
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Namespiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]
SMILESC1CCC2(C1)CC1SC12
InChIInChI=1S/C8H12S/c1-2-4-8(3-1)5-6-7(8)9-6/h6-7H,1-5H2
InChIKeyQXLPSAGNBSQLPZ-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]?
The IUPAC name of spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] (CID 163917413) is spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane].
What is the SMILES notation for spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]?
The canonical SMILES for spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] is C1CCC2(C1)CC1SC12.
What is the InChIKey of spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]?
The InChIKey is QXLPSAGNBSQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-4-8(3-1)5-6-7(8)9-6/h6-7H,1-5H2.
What are the key properties of spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane]?
spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] has a molecular weight of 140.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5-thiabicyclo[2.1.0]pentane-2,1'-cyclopentane] is sourced from PubChem (CID 163917413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).