2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide

C7H8O2S — CID 89188283

IUPAC2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide
SMILESCC1=C2C=C(CC1)S2(=O)=O
InChIInChI=1S/C7H8O2S/c1-5-2-3-6-4-7(5)10(6,8)9/h4H,2-3H2,1H3
InChIKeyMUDCSRKRLZVWQO-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.37
Rot. Bonds

About 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide

2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide (PubChem CID 89188283) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide.

Molecular Properties

Compound Name2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide
PubChem CID89188283
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide
SMILESCC1=C2C=C(CC1)S2(=O)=O
InChIInChI=1S/C7H8O2S/c1-5-2-3-6-4-7(5)10(6,8)9/h4H,2-3H2,1H3
InChIKeyMUDCSRKRLZVWQO-UHFFFAOYSA-N
XLogP1.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide?
The IUPAC name of 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide (CID 89188283) is 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide.
What is the SMILES notation for 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide?
The canonical SMILES for 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide is CC1=C2C=C(CC1)S2(=O)=O.
What is the InChIKey of 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide?
The InChIKey is MUDCSRKRLZVWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-5-2-3-6-4-7(5)10(6,8)9/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide?
2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide has a molecular weight of 156.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6λ6-thiabicyclo[3.1.1]hepta-1,5(7)-diene 6,6-dioxide is sourced from PubChem (CID 89188283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).