2-Methylsulfanylethylcyclobutane

C7H14S — CID 68493605

IUPAC2-methylsulfanylethylcyclobutane
SMILESCSCCC1CCC1
InChIInChI=1S/C7H14S/c1-8-6-5-7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyGDMGDHLTZUNSDQ-UHFFFAOYSA-N
MW130.25 g/mol
LogP2.90
Rot. Bonds3

About 2-Methylsulfanylethylcyclobutane

2-Methylsulfanylethylcyclobutane (PubChem CID 68493605) has the molecular formula C7H14S and a molecular weight of 130.25 g/mol. Its IUPAC name is 2-methylsulfanylethylcyclobutane.

Molecular Properties

Compound Name2-Methylsulfanylethylcyclobutane
PubChem CID68493605
Molecular FormulaC7H14S
Molecular Weight130.25 g/mol
Exact Mass130.08
IUPAC Name2-methylsulfanylethylcyclobutane
SMILESCSCCC1CCC1
InChIInChI=1S/C7H14S/c1-8-6-5-7-3-2-4-7/h7H,2-6H2,1H3
InChIKeyGDMGDHLTZUNSDQ-UHFFFAOYSA-N
XLogP2.90
TPSA25.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity57

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 101858390
CID 101858390
CID 155139311
CID 155139311
CID 166684996
CID 166684996
CID 54569316
CID 54569316
CID 58453075
CID 58453075
CID 58664792
CID 58664792
CID 59882026
CID 59882026
CID 68067696
CID 68067696
CID 68076940
CID 68076940
CID 68387304
CID 68387304
CID 68493827
CID 68493827
CID 89429387
CID 89429387

Frequently Asked Questions

What is the IUPAC name of 2-Methylsulfanylethylcyclobutane?
The IUPAC name of 2-Methylsulfanylethylcyclobutane (CID 68493605) is 2-methylsulfanylethylcyclobutane.
What is the SMILES notation for 2-Methylsulfanylethylcyclobutane?
The canonical SMILES for 2-Methylsulfanylethylcyclobutane is CSCCC1CCC1.
What is the InChIKey of 2-Methylsulfanylethylcyclobutane?
The InChIKey is GDMGDHLTZUNSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-8-6-5-7-3-2-4-7/h7H,2-6H2,1H3.
What are the key properties of 2-Methylsulfanylethylcyclobutane?
2-Methylsulfanylethylcyclobutane has a molecular weight of 130.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylsulfanylethylcyclobutane is sourced from PubChem (CID 68493605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).