[(1R)-1-methylsulfanylpropyl]benzene

C10H14S — CID 89360897

IUPAC[(1R)-1-methylsulfanylpropyl]benzene
SMILESCC[C@@H](SC)c1ccccc1
InChIInChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyHFFXYIAJXCLEPG-SNVBAGLBSA-N
MW166.29 g/mol
LogP3.50
Rot. Bonds3

About [(1R)-1-methylsulfanylpropyl]benzene

[(1R)-1-methylsulfanylpropyl]benzene (PubChem CID 89360897) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is [(1R)-1-methylsulfanylpropyl]benzene.

Molecular Properties

Compound Name[(1R)-1-methylsulfanylpropyl]benzene
PubChem CID89360897
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name[(1R)-1-methylsulfanylpropyl]benzene
SMILESCC[C@@H](SC)c1ccccc1
InChIInChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyHFFXYIAJXCLEPG-SNVBAGLBSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;pentan-3-ylbenzene
CID 19774895
1-(1-phenylpropylsulfanylmethyl)pyrrole-2,5-diol
CID 54429765
4,4-dimethyl-1-methylsulfanyl-1-phenylpentan-3-one
CID 176697757
N,N-dimethyl-2-[(1R)-1-phenylpropyl]sulfanylacetamide
CID 97223884
2-ethylsulfanyl-N-methyl-2-phenylethanamine
CID 62577533
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
1-methylsulfanylpropylsulfonylbenzene
CID 10680987
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
1-phenylpropan-1-ol;hydrate
CID 156782934

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methylsulfanylpropyl]benzene?
The IUPAC name of [(1R)-1-methylsulfanylpropyl]benzene (CID 89360897) is [(1R)-1-methylsulfanylpropyl]benzene.
What is the SMILES notation for [(1R)-1-methylsulfanylpropyl]benzene?
The canonical SMILES for [(1R)-1-methylsulfanylpropyl]benzene is CC[C@@H](SC)c1ccccc1.
What is the InChIKey of [(1R)-1-methylsulfanylpropyl]benzene?
The InChIKey is HFFXYIAJXCLEPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14S/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of [(1R)-1-methylsulfanylpropyl]benzene?
[(1R)-1-methylsulfanylpropyl]benzene has a molecular weight of 166.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methylsulfanylpropyl]benzene is sourced from PubChem (CID 89360897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).