methylsulfanylcyclopropane

C4H8S — CID 12678402

IUPACmethylsulfanylcyclopropane
SMILESCSC1CC1
InChIInChI=1S/C4H8S/c1-5-4-2-3-4/h4H,2-3H2,1H3
InChIKeyMPUGYVQTBLFANQ-UHFFFAOYSA-N
MW88.18 g/mol
LogP1.51
Rot. Bonds1

About methylsulfanylcyclopropane

methylsulfanylcyclopropane (PubChem CID 12678402) has the molecular formula C4H8S and a molecular weight of 88.18 g/mol. Its IUPAC name is methylsulfanylcyclopropane.

Molecular Properties

Compound Namemethylsulfanylcyclopropane
PubChem CID12678402
Molecular FormulaC4H8S
Molecular Weight88.18 g/mol
Exact Mass88.03
IUPAC Namemethylsulfanylcyclopropane
SMILESCSC1CC1
InChIInChI=1S/C4H8S/c1-5-4-2-3-4/h4H,2-3H2,1H3
InChIKeyMPUGYVQTBLFANQ-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methylsulfanylcyclopropane 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 methylsulfanylcyclopropane?
The IUPAC name of methylsulfanylcyclopropane (CID 12678402) is methylsulfanylcyclopropane.
What is the SMILES notation for methylsulfanylcyclopropane?
The canonical SMILES for methylsulfanylcyclopropane is CSC1CC1.
What is the InChIKey of methylsulfanylcyclopropane?
The InChIKey is MPUGYVQTBLFANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S/c1-5-4-2-3-4/h4H,2-3H2,1H3.
What are the key properties of methylsulfanylcyclopropane?
methylsulfanylcyclopropane has a molecular weight of 88.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylcyclopropane is sourced from PubChem (CID 12678402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).