1-methyl-2-(2-phenylethylsulfanyl)benzene

C15H16S — CID 59416597

IUPAC1-methyl-2-(2-phenylethylsulfanyl)benzene
SMILESCc1ccccc1SCCc1ccccc1
InChIInChI=1S/C15H16S/c1-13-7-5-6-10-15(13)16-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyYWVQWJWMBZFHHM-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.33
Rot. Bonds4

About 1-methyl-2-(2-phenylethylsulfanyl)benzene

1-methyl-2-(2-phenylethylsulfanyl)benzene (PubChem CID 59416597) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-methyl-2-(2-phenylethylsulfanyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-phenylethylsulfanyl)benzene
PubChem CID59416597
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-methyl-2-(2-phenylethylsulfanyl)benzene
SMILESCc1ccccc1SCCc1ccccc1
InChIInChI=1S/C15H16S/c1-13-7-5-6-10-15(13)16-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3
InChIKeyYWVQWJWMBZFHHM-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-2-(2-methylphenyl)sulfanylethanamine
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2-(2-phenylethylsulfanyl)phenol
CID 10823369
[1-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
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1-(3-bromopropylsulfanyl)-2-methylbenzene
CID 60891790
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
N-benzyl-N-(2-chloroethyl)-2-(2-methylphenyl)sulfanylethanamine;hydrochloride
CID 24835719
1-methyl-2-undecylsulfanylbenzene
CID 173415196
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281
N,N-dimethyl-5-(2-phenylethylsulfanyl)naphthalen-1-amine
CID 175319076
1-(furan-2-yl)-2-(2-methylphenyl)sulfanylethanone
CID 60892791
1-ethenyl-3-[(2-methylphenyl)sulfanylmethyl]benzene
CID 139773228

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-phenylethylsulfanyl)benzene?
The IUPAC name of 1-methyl-2-(2-phenylethylsulfanyl)benzene (CID 59416597) is 1-methyl-2-(2-phenylethylsulfanyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-phenylethylsulfanyl)benzene?
The canonical SMILES for 1-methyl-2-(2-phenylethylsulfanyl)benzene is Cc1ccccc1SCCc1ccccc1.
What is the InChIKey of 1-methyl-2-(2-phenylethylsulfanyl)benzene?
The InChIKey is YWVQWJWMBZFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-13-7-5-6-10-15(13)16-12-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-methyl-2-(2-phenylethylsulfanyl)benzene?
1-methyl-2-(2-phenylethylsulfanyl)benzene has a molecular weight of 228.36 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-phenylethylsulfanyl)benzene is sourced from PubChem (CID 59416597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).