methylsulfanylmethylcyclobutane

C6H12S — CID 58453075

IUPACmethylsulfanylmethylcyclobutane
SMILESCSCC1CCC1
InChIInChI=1S/C6H12S/c1-7-5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeySZSHZTKVGCYSBU-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds2

About methylsulfanylmethylcyclobutane

methylsulfanylmethylcyclobutane (PubChem CID 58453075) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is methylsulfanylmethylcyclobutane.

Molecular Properties

Compound Namemethylsulfanylmethylcyclobutane
PubChem CID58453075
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Namemethylsulfanylmethylcyclobutane
SMILESCSCC1CCC1
InChIInChI=1S/C6H12S/c1-7-5-6-3-2-4-6/h6H,2-5H2,1H3
InChIKeySZSHZTKVGCYSBU-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylcyclobutane?
The IUPAC name of methylsulfanylmethylcyclobutane (CID 58453075) is methylsulfanylmethylcyclobutane.
What is the SMILES notation for methylsulfanylmethylcyclobutane?
The canonical SMILES for methylsulfanylmethylcyclobutane is CSCC1CCC1.
What is the InChIKey of methylsulfanylmethylcyclobutane?
The InChIKey is SZSHZTKVGCYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-7-5-6-3-2-4-6/h6H,2-5H2,1H3.
What are the key properties of methylsulfanylmethylcyclobutane?
methylsulfanylmethylcyclobutane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylcyclobutane is sourced from PubChem (CID 58453075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).