ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane

C14H26S2 — CID 134387798

IUPACethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane
SMILESCCS(C)(SCC1C=CC(C)C1)C1CC1C
InChIInChI=1S/C14H26S2/c1-5-16(4,14-9-12(14)3)15-10-13-7-6-11(2)8-13/h6-7,11-14H,5,8-10H2,1-4H3
InChIKeyQQOFYMRETVMALZ-UHFFFAOYSA-N
MW258.50 g/mol
LogP4.71
Rot. Bonds5

About ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane

ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane (PubChem CID 134387798) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane.

Molecular Properties

Compound Nameethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane
PubChem CID134387798
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Nameethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane
SMILESCCS(C)(SCC1C=CC(C)C1)C1CC1C
InChIInChI=1S/C14H26S2/c1-5-16(4,14-9-12(14)3)15-10-13-7-6-11(2)8-13/h6-7,11-14H,5,8-10H2,1-4H3
InChIKeyQQOFYMRETVMALZ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane with MolForge

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
6-Methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 12669525
(2R,3S)-3-ethenyl-2-[(E)-pent-1-enyl]thiolane
CID 134945768
(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene
CID 134988636
(E)-5-butylsulfanyl-3-methylnon-4-ene
CID 102371658
3-Tert-butylsulfanylcyclopentene
CID 12622859
3,5-Bis(2,3-dihydrothiophen-2-yl)-2,3-dihydrothiophene
CID 19937208
5-but-3-enyl-3-cyclopropyl-3-methyl-2H-thiophene
CID 20253888
2,5-Di(propan-2-yl)-2,3-dihydrothiophene
CID 58092324
2-[(Z)-3-(3,5-dimethyl-2,3-dihydrothiophen-2-yl)but-2-en-2-yl]-3,5-dimethyl-2,3-dihydrothiophene
CID 58758083
(Z)-5-methyl-1-(2-methylpropylsulfanyl)hex-2-ene
CID 59855703
(Z)-6-methyl-1-propan-2-ylsulfanylhept-3-ene
CID 59855752

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane?
The IUPAC name of ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane (CID 134387798) is ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane.
What is the SMILES notation for ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane?
The canonical SMILES for ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane is CCS(C)(SCC1C=CC(C)C1)C1CC1C.
What is the InChIKey of ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane?
The InChIKey is QQOFYMRETVMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S2/c1-5-16(4,14-9-12(14)3)15-10-13-7-6-11(2)8-13/h6-7,11-14H,5,8-10H2,1-4H3.
What are the key properties of ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane?
ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane has a molecular weight of 258.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-[(4-methylcyclopent-2-en-1-yl)methylsulfanyl]-(2-methylcyclopropyl)-λ4-sulfane is sourced from PubChem (CID 134387798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).