1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane

C7H14S2 — CID 170111899

IUPAC1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane
SMILESCSSC(C)C1(C)CC1
InChIInChI=1S/C7H14S2/c1-6(9-8-3)7(2)4-5-7/h6H,4-5H2,1-3H3
InChIKeyHSTSFKZLJXVQLB-UHFFFAOYSA-N
MW162.32 g/mol
LogP3.19
Rot. Bonds3

About 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane

1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane (PubChem CID 170111899) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane.

Molecular Properties

Compound Name1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane
PubChem CID170111899
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Name1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane
SMILESCSSC(C)C1(C)CC1
InChIInChI=1S/C7H14S2/c1-6(9-8-3)7(2)4-5-7/h6H,4-5H2,1-3H3
InChIKeyHSTSFKZLJXVQLB-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(1-methylcyclohexyl)ethyl]sulfanylmethanamine
CID 167240637
3-(1-methylcyclopropyl)butan-2-ol
CID 67990896
1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
1-(1-methylcyclopropyl)ethyl methanesulfonate
CID 102620845
N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716177
2,3-dimethyl-1-(1-methylcyclopropyl)butan-1-ol
CID 130646409
7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
1-[fluoro(iodo)methyl]-1-methylcyclopropane
CID 155330116
N-[1-(1-methylcyclopropyl)ethyl]cyclopropanamine
CID 43363059
3-methyl-3-propan-2-ylpyrrolidin-1-ide;rhenium
CID 171658485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane?
The IUPAC name of 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane (CID 170111899) is 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane.
What is the SMILES notation for 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane?
The canonical SMILES for 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane is CSSC(C)C1(C)CC1.
What is the InChIKey of 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane?
The InChIKey is HSTSFKZLJXVQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S2/c1-6(9-8-3)7(2)4-5-7/h6H,4-5H2,1-3H3.
What are the key properties of 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane?
1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane has a molecular weight of 162.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane is sourced from PubChem (CID 170111899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).