3-methylcyclobutene;sulfane

C5H10S — CID 90110313

IUPAC3-methylcyclobutene;sulfane
SMILESCC1C=CC1.S
InChIInChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2
InChIKeyBMLRXEKWYZJVHJ-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.70
Rot. Bonds

About 3-methylcyclobutene;sulfane

3-methylcyclobutene;sulfane (PubChem CID 90110313) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 3-methylcyclobutene;sulfane.

Molecular Properties

Compound Name3-methylcyclobutene;sulfane
PubChem CID90110313
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name3-methylcyclobutene;sulfane
SMILESCC1C=CC1.S
InChIInChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2
InChIKeyBMLRXEKWYZJVHJ-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutene;sulfane?
The IUPAC name of 3-methylcyclobutene;sulfane (CID 90110313) is 3-methylcyclobutene;sulfane.
What is the SMILES notation for 3-methylcyclobutene;sulfane?
The canonical SMILES for 3-methylcyclobutene;sulfane is CC1C=CC1.S.
What is the InChIKey of 3-methylcyclobutene;sulfane?
The InChIKey is BMLRXEKWYZJVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h2-3,5H,4H2,1H3;1H2.
What are the key properties of 3-methylcyclobutene;sulfane?
3-methylcyclobutene;sulfane has a molecular weight of 102.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutene;sulfane is sourced from PubChem (CID 90110313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).