2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane

C10H18S — CID 91521946

IUPAC2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane
SMILESCSC12CC1(C)C(C)C2(C)C
InChIInChI=1S/C10H18S/c1-7-8(2,3)10(11-5)6-9(7,10)4/h7H,6H2,1-5H3
InChIKeyAKPSAEPXBUBQSO-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.17
Rot. Bonds1

About 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane

2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane (PubChem CID 91521946) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane
PubChem CID91521946
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane
SMILESCSC12CC1(C)C(C)C2(C)C
InChIInChI=1S/C10H18S/c1-7-8(2,3)10(11-5)6-9(7,10)4/h7H,6H2,1-5H3
InChIKeyAKPSAEPXBUBQSO-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane?
The IUPAC name of 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane (CID 91521946) is 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane?
The canonical SMILES for 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane is CSC12CC1(C)C(C)C2(C)C.
What is the InChIKey of 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane?
The InChIKey is AKPSAEPXBUBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7-8(2,3)10(11-5)6-9(7,10)4/h7H,6H2,1-5H3.
What are the key properties of 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane?
2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane has a molecular weight of 170.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethyl-1-methylsulfanylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91521946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).