1,2-dimethyl-3-methylsulfanylcyclobutane

C7H14S — CID 123969276

IUPAC1,2-dimethyl-3-methylsulfanylcyclobutane
SMILESCSC1CC(C)C1C
InChIInChI=1S/C7H14S/c1-5-4-7(8-3)6(5)2/h5-7H,4H2,1-3H3
InChIKeyMSEPHMUGOHVVHV-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.39
Rot. Bonds1

About 1,2-dimethyl-3-methylsulfanylcyclobutane

1,2-dimethyl-3-methylsulfanylcyclobutane (PubChem CID 123969276) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 1,2-dimethyl-3-methylsulfanylcyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-methylsulfanylcyclobutane
PubChem CID123969276
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name1,2-dimethyl-3-methylsulfanylcyclobutane
SMILESCSC1CC(C)C1C
InChIInChI=1S/C7H14S/c1-5-4-7(8-3)6(5)2/h5-7H,4H2,1-3H3
InChIKeyMSEPHMUGOHVVHV-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4-trimethyl-3,5-bis(methylsulfanyl)cyclohexane
CID 21044094
2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine
CID 130617127
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
2-methylsulfanylcyclopropan-1-ol
CID 54469383
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
N,2-dimethyl-3-methylsulfanylcyclopentan-1-amine
CID 64906996
(2-methylcyclopropyl) thiohypochlorite
CID 139548096
3,4,5-trimethylcyclohexan-1-amine
CID 130371803
(1S,2R,3R,5S)-2,3,6,6-tetramethylbicyclo[3.1.1]heptane
CID 54037788
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-methylsulfanylcyclobutane?
The IUPAC name of 1,2-dimethyl-3-methylsulfanylcyclobutane (CID 123969276) is 1,2-dimethyl-3-methylsulfanylcyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-methylsulfanylcyclobutane?
The canonical SMILES for 1,2-dimethyl-3-methylsulfanylcyclobutane is CSC1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-methylsulfanylcyclobutane?
The InChIKey is MSEPHMUGOHVVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-5-4-7(8-3)6(5)2/h5-7H,4H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-methylsulfanylcyclobutane?
1,2-dimethyl-3-methylsulfanylcyclobutane has a molecular weight of 130.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-methylsulfanylcyclobutane is sourced from PubChem (CID 123969276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).