2-propan-2-ylsulfanylpropane

C6H14S — CID 12264

IUPAC2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)C
InChIInChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKeyXYWDPYKBIRQXQS-UHFFFAOYSA-N
MW118.25 g/mol
LogP2.54
Rot. Bonds2

About 2-propan-2-ylsulfanylpropane

2-propan-2-ylsulfanylpropane (PubChem CID 12264) has the molecular formula C6H14S and a molecular weight of 118.25 g/mol. Its IUPAC name is 2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Name2-propan-2-ylsulfanylpropane
PubChem CID12264
Molecular FormulaC6H14S
Molecular Weight118.25 g/mol
Exact Mass118.08
IUPAC Name2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)C
InChIInChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKeyXYWDPYKBIRQXQS-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanylpropane?
The IUPAC name of 2-propan-2-ylsulfanylpropane (CID 12264) is 2-propan-2-ylsulfanylpropane.
What is the SMILES notation for 2-propan-2-ylsulfanylpropane?
The canonical SMILES for 2-propan-2-ylsulfanylpropane is CC(C)SC(C)C.
What is the InChIKey of 2-propan-2-ylsulfanylpropane?
The InChIKey is XYWDPYKBIRQXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-ylsulfanylpropane?
2-propan-2-ylsulfanylpropane has a molecular weight of 118.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 12264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).