1-methylcyclobutene;sulfane

C5H10S — CID 90109296

IUPAC1-methylcyclobutene;sulfane
SMILESCC1=CCC1.S
InChIInChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2
InChIKeyXKDLEJLHEVUNIQ-UHFFFAOYSA-N
MW102.20 g/mol
LogP1.84
Rot. Bonds

About 1-methylcyclobutene;sulfane

1-methylcyclobutene;sulfane (PubChem CID 90109296) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 1-methylcyclobutene;sulfane.

Molecular Properties

Compound Name1-methylcyclobutene;sulfane
PubChem CID90109296
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name1-methylcyclobutene;sulfane
SMILESCC1=CCC1.S
InChIInChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2
InChIKeyXKDLEJLHEVUNIQ-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methylcyclobutene
CID 91484029
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
1-methylcyclohexene;hydrofluoride
CID 157219805
(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
CID 5367028
(5Z)-5-ethylidene-1-methylcycloheptene
CID 6433644
acetylene;1-methylcyclohexene
CID 145280126
(1E,5E)-5-methyl-9-oxocyclonona-1,5-diene-1-carboxylic acid
CID 78426242
(1Z,4Z,7Z)-1,7-dimethylcyclodeca-1,4,7-triene
CID 21159121
ethane;5-methylcyclohexa-1,5-dien-1-amine
CID 144692983
carbanide;(1Z)-1-methylcyclooctene;platinum(2+)
CID 170661208
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclobutene;sulfane?
The IUPAC name of 1-methylcyclobutene;sulfane (CID 90109296) is 1-methylcyclobutene;sulfane.
What is the SMILES notation for 1-methylcyclobutene;sulfane?
The canonical SMILES for 1-methylcyclobutene;sulfane is CC1=CCC1.S.
What is the InChIKey of 1-methylcyclobutene;sulfane?
The InChIKey is XKDLEJLHEVUNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.H2S/c1-5-3-2-4-5;/h3H,2,4H2,1H3;1H2.
What are the key properties of 1-methylcyclobutene;sulfane?
1-methylcyclobutene;sulfane has a molecular weight of 102.20 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclobutene;sulfane is sourced from PubChem (CID 90109296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).