2-(1-phenylpropan-2-ylsulfanyl)propylbenzene

C18H22S — CID 54020094

IUPAC2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
SMILESCC(Cc1ccccc1)SC(C)Cc1ccccc1
InChIInChI=1S/C18H22S/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKYHYZHYZINNHTM-UHFFFAOYSA-N
MW270.44 g/mol
LogP4.98
Rot. Bonds6

About 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene

2-(1-phenylpropan-2-ylsulfanyl)propylbenzene (PubChem CID 54020094) has the molecular formula C18H22S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene.

Molecular Properties

Compound Name2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
PubChem CID54020094
Molecular FormulaC18H22S
Molecular Weight270.44 g/mol
Exact Mass270.14
IUPAC Name2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
SMILESCC(Cc1ccccc1)SC(C)Cc1ccccc1
InChIInChI=1S/C18H22S/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKYHYZHYZINNHTM-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethylsulfanyl)propylbenzene
CID 102526857
2-(1-phenylpropan-2-ylsulfanyl)ethanethiol
CID 121218225
ethane;2-methylpropylbenzene
CID 162200929
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
azane;1-phenylpropan-2-amine
CID 67350534
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene?
The IUPAC name of 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene (CID 54020094) is 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene.
What is the SMILES notation for 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene?
The canonical SMILES for 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene is CC(Cc1ccccc1)SC(C)Cc1ccccc1.
What is the InChIKey of 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene?
The InChIKey is KYHYZHYZINNHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22S/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene?
2-(1-phenylpropan-2-ylsulfanyl)propylbenzene has a molecular weight of 270.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-ylsulfanyl)propylbenzene is sourced from PubChem (CID 54020094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).