1-benzylsulfanyl-4-methylbenzene

C14H14S — CID 10940369

IUPAC1-benzylsulfanyl-4-methylbenzene
SMILESCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyVCMADTQZCBWKAB-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.29
Rot. Bonds3

About 1-benzylsulfanyl-4-methylbenzene

1-benzylsulfanyl-4-methylbenzene (PubChem CID 10940369) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-benzylsulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-benzylsulfanyl-4-methylbenzene
PubChem CID10940369
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name1-benzylsulfanyl-4-methylbenzene
SMILESCc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyVCMADTQZCBWKAB-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-chloro-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 11701538
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
1-methylsulfanyl-4-[(4-phenylphenyl)sulfanylmethyl]benzene
CID 130199319
1-benzylsulfanyl-4-(difluoromethyl)benzene
CID 139404408
1-methyl-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 162410054
3-benzylsulfanyl-5-methylpyridine
CID 58349834
2-benzylsulfanyl-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 9418190
benzylsulfanyl-(4-methylphenyl)sulfanylmethanethione
CID 11289291
1-methyl-4-[(4-nitrophenyl)methylsulfanyl]benzene
CID 4247940
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-4-methylbenzene?
The IUPAC name of 1-benzylsulfanyl-4-methylbenzene (CID 10940369) is 1-benzylsulfanyl-4-methylbenzene.
What is the SMILES notation for 1-benzylsulfanyl-4-methylbenzene?
The canonical SMILES for 1-benzylsulfanyl-4-methylbenzene is Cc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 1-benzylsulfanyl-4-methylbenzene?
The InChIKey is VCMADTQZCBWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-benzylsulfanyl-4-methylbenzene?
1-benzylsulfanyl-4-methylbenzene has a molecular weight of 214.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-4-methylbenzene is sourced from PubChem (CID 10940369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).