1-(1-benzylsulfanylethyl)-4-methylbenzene

C16H18S — CID 178163108

IUPAC1-(1-benzylsulfanylethyl)-4-methylbenzene
SMILESCc1ccc(C(C)SCc2ccccc2)cc1
InChIInChI=1S/C16H18S/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
InChIKeyNRXYBXBRHPTLNN-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.99
Rot. Bonds4

About 1-(1-benzylsulfanylethyl)-4-methylbenzene

1-(1-benzylsulfanylethyl)-4-methylbenzene (PubChem CID 178163108) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(1-benzylsulfanylethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1-benzylsulfanylethyl)-4-methylbenzene
PubChem CID178163108
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-(1-benzylsulfanylethyl)-4-methylbenzene
SMILESCc1ccc(C(C)SCc2ccccc2)cc1
InChIInChI=1S/C16H18S/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3
InChIKeyNRXYBXBRHPTLNN-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzyl sulfide
CID 10867
Benzyl sulfoxide
CID 12116
Benzyl methyl sulfide
CID 13016
(2.2)Paracyclophane
CID 74210
Di-p-tolylmethane
CID 21071
1,2-Di-p-tolylethane
CID 10854
Benzyl phenyl sulfide
CID 13255
4-Pentylbiphenyl
CID 81546
Bis(p-methylbenzyl) trisulfide
CID 571217
4-Methyl-4'-n-propyl-[1,1-biphenyl]
CID 20591669
1,1'-Biphenyl, 4-octyl-
CID 201918
4,4'-Bis(mercaptomethyl)biphenyl
CID 373780

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfanylethyl)-4-methylbenzene?
The IUPAC name of 1-(1-benzylsulfanylethyl)-4-methylbenzene (CID 178163108) is 1-(1-benzylsulfanylethyl)-4-methylbenzene.
What is the SMILES notation for 1-(1-benzylsulfanylethyl)-4-methylbenzene?
The canonical SMILES for 1-(1-benzylsulfanylethyl)-4-methylbenzene is Cc1ccc(C(C)SCc2ccccc2)cc1.
What is the InChIKey of 1-(1-benzylsulfanylethyl)-4-methylbenzene?
The InChIKey is NRXYBXBRHPTLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-13-8-10-16(11-9-13)14(2)17-12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3.
What are the key properties of 1-(1-benzylsulfanylethyl)-4-methylbenzene?
1-(1-benzylsulfanylethyl)-4-methylbenzene has a molecular weight of 242.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfanylethyl)-4-methylbenzene is sourced from PubChem (CID 178163108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).