propan-2-ylsulfanylmethylbenzene

C10H14S — CID 525513

IUPACpropan-2-ylsulfanylmethylbenzene
SMILESCC(C)SCc1ccccc1
InChIInChI=1S/C10H14S/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGGIZKZIRURGXOI-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.33
Rot. Bonds3

About propan-2-ylsulfanylmethylbenzene

propan-2-ylsulfanylmethylbenzene (PubChem CID 525513) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is propan-2-ylsulfanylmethylbenzene.

Molecular Properties

Compound Namepropan-2-ylsulfanylmethylbenzene
PubChem CID525513
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Namepropan-2-ylsulfanylmethylbenzene
SMILESCC(C)SCc1ccccc1
InChIInChI=1S/C10H14S/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyGGIZKZIRURGXOI-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfanylmethylbenzene?
The IUPAC name of propan-2-ylsulfanylmethylbenzene (CID 525513) is propan-2-ylsulfanylmethylbenzene.
What is the SMILES notation for propan-2-ylsulfanylmethylbenzene?
The canonical SMILES for propan-2-ylsulfanylmethylbenzene is CC(C)SCc1ccccc1.
What is the InChIKey of propan-2-ylsulfanylmethylbenzene?
The InChIKey is GGIZKZIRURGXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of propan-2-ylsulfanylmethylbenzene?
propan-2-ylsulfanylmethylbenzene has a molecular weight of 166.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfanylmethylbenzene is sourced from PubChem (CID 525513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).