2-methyl-2-propan-2-ylsulfanylpropane

C7H16S — CID 525370

IUPAC2-methyl-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)(C)C
InChIInChI=1S/C7H16S/c1-6(2)8-7(3,4)5/h6H,1-5H3
InChIKeyOBGJHUWOEJFPJS-UHFFFAOYSA-N
MW132.27 g/mol
LogP2.93
Rot. Bonds1

About 2-methyl-2-propan-2-ylsulfanylpropane

2-methyl-2-propan-2-ylsulfanylpropane (PubChem CID 525370) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylsulfanylpropane.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylsulfanylpropane
PubChem CID525370
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Name2-methyl-2-propan-2-ylsulfanylpropane
SMILESCC(C)SC(C)(C)C
InChIInChI=1S/C7H16S/c1-6(2)8-7(3,4)5/h6H,1-5H3
InChIKeyOBGJHUWOEJFPJS-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propan-2-ylsulfanylpropane?
The IUPAC name of 2-methyl-2-propan-2-ylsulfanylpropane (CID 525370) is 2-methyl-2-propan-2-ylsulfanylpropane.
What is the SMILES notation for 2-methyl-2-propan-2-ylsulfanylpropane?
The canonical SMILES for 2-methyl-2-propan-2-ylsulfanylpropane is CC(C)SC(C)(C)C.
What is the InChIKey of 2-methyl-2-propan-2-ylsulfanylpropane?
The InChIKey is OBGJHUWOEJFPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S/c1-6(2)8-7(3,4)5/h6H,1-5H3.
What are the key properties of 2-methyl-2-propan-2-ylsulfanylpropane?
2-methyl-2-propan-2-ylsulfanylpropane has a molecular weight of 132.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylsulfanylpropane is sourced from PubChem (CID 525370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).