(1-benzylsulfanyl-2-methylpropyl)benzene

C17H20S — CID 13107886

IUPAC(1-benzylsulfanyl-2-methylpropyl)benzene
SMILESCC(C)C(SCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20S/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChIKeyANNHZRAJVYQKNG-UHFFFAOYSA-N
MW256.41 g/mol
LogP5.32
Rot. Bonds5

About (1-benzylsulfanyl-2-methylpropyl)benzene

(1-benzylsulfanyl-2-methylpropyl)benzene (PubChem CID 13107886) has the molecular formula C17H20S and a molecular weight of 256.41 g/mol. Its IUPAC name is (1-benzylsulfanyl-2-methylpropyl)benzene.

Molecular Properties

Compound Name(1-benzylsulfanyl-2-methylpropyl)benzene
PubChem CID13107886
Molecular FormulaC17H20S
Molecular Weight256.41 g/mol
Exact Mass256.13
IUPAC Name(1-benzylsulfanyl-2-methylpropyl)benzene
SMILESCC(C)C(SCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20S/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChIKeyANNHZRAJVYQKNG-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzylsulfanyl-N,N-dimethyl-1-phenylbutan-2-amine
CID 132598952
2-benzylsulfanyl-3-methyl-1-phenylbutan-1-amine
CID 64622173
N-[(1R,2R)-2-benzylsulfanyl-1,2-diphenylethyl]aniline
CID 102472585
4-methylpentan-2-ylsulfanylmethylbenzene
CID 118343527
3-(1-benzylsulfanylethyl)aniline
CID 61263874
N-[benzylsulfanyl(phenyl)methyl]-N-ethylethanamine
CID 10424084
1,4-bis(2-benzylsulfanyl-2-phenylethyl)benzene
CID 19795291
[1-(ethyldisulfanyl)-2-methylpropyl]benzene
CID 163281708
methyl 3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-3-phenylpropanoate
CID 122634776
(3R,4R)-4-benzylsulfanyl-3-methyl-4-(4-nitrophenyl)butan-2-one
CID 139116738
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712

Frequently Asked Questions

What is the IUPAC name of (1-benzylsulfanyl-2-methylpropyl)benzene?
The IUPAC name of (1-benzylsulfanyl-2-methylpropyl)benzene (CID 13107886) is (1-benzylsulfanyl-2-methylpropyl)benzene.
What is the SMILES notation for (1-benzylsulfanyl-2-methylpropyl)benzene?
The canonical SMILES for (1-benzylsulfanyl-2-methylpropyl)benzene is CC(C)C(SCc1ccccc1)c1ccccc1.
What is the InChIKey of (1-benzylsulfanyl-2-methylpropyl)benzene?
The InChIKey is ANNHZRAJVYQKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20S/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3.
What are the key properties of (1-benzylsulfanyl-2-methylpropyl)benzene?
(1-benzylsulfanyl-2-methylpropyl)benzene has a molecular weight of 256.41 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylsulfanyl-2-methylpropyl)benzene is sourced from PubChem (CID 13107886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).