2,3-bis(methylsulfanyl)spiro[3.4]octane

C10H18S2 — CID 146434673

IUPAC2,3-bis(methylsulfanyl)spiro[3.4]octane
SMILESCSC1CC2(CCCC2)C1SC
InChIInChI=1S/C10H18S2/c1-11-8-7-10(9(8)12-2)5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyVFMZWZBEUMNXGC-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.41
Rot. Bonds2

About 2,3-bis(methylsulfanyl)spiro[3.4]octane

2,3-bis(methylsulfanyl)spiro[3.4]octane (PubChem CID 146434673) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is 2,3-bis(methylsulfanyl)spiro[3.4]octane.

Molecular Properties

Compound Name2,3-bis(methylsulfanyl)spiro[3.4]octane
PubChem CID146434673
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name2,3-bis(methylsulfanyl)spiro[3.4]octane
SMILESCSC1CC2(CCCC2)C1SC
InChIInChI=1S/C10H18S2/c1-11-8-7-10(9(8)12-2)5-3-4-6-10/h8-9H,3-7H2,1-2H3
InChIKeyVFMZWZBEUMNXGC-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(methylsulfanyl)spiro[3.4]octane?
The IUPAC name of 2,3-bis(methylsulfanyl)spiro[3.4]octane (CID 146434673) is 2,3-bis(methylsulfanyl)spiro[3.4]octane.
What is the SMILES notation for 2,3-bis(methylsulfanyl)spiro[3.4]octane?
The canonical SMILES for 2,3-bis(methylsulfanyl)spiro[3.4]octane is CSC1CC2(CCCC2)C1SC.
What is the InChIKey of 2,3-bis(methylsulfanyl)spiro[3.4]octane?
The InChIKey is VFMZWZBEUMNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S2/c1-11-8-7-10(9(8)12-2)5-3-4-6-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,3-bis(methylsulfanyl)spiro[3.4]octane?
2,3-bis(methylsulfanyl)spiro[3.4]octane has a molecular weight of 202.39 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methylsulfanyl)spiro[3.4]octane is sourced from PubChem (CID 146434673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).