benzylsulfanylmethylbenzene

C14H14S — CID 10867

IUPACbenzylsulfanylmethylbenzene
SMILESc1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyLUFPJJNWMYZRQE-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.12
Rot. Bonds4

About benzylsulfanylmethylbenzene

benzylsulfanylmethylbenzene (PubChem CID 10867) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is benzylsulfanylmethylbenzene.

Molecular Properties

Compound Namebenzylsulfanylmethylbenzene
PubChem CID10867
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Namebenzylsulfanylmethylbenzene
SMILESc1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyLUFPJJNWMYZRQE-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzylsulfanylmethylbenzene?
The IUPAC name of benzylsulfanylmethylbenzene (CID 10867) is benzylsulfanylmethylbenzene.
What is the SMILES notation for benzylsulfanylmethylbenzene?
The canonical SMILES for benzylsulfanylmethylbenzene is c1ccc(CSCc2ccccc2)cc1.
What is the InChIKey of benzylsulfanylmethylbenzene?
The InChIKey is LUFPJJNWMYZRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of benzylsulfanylmethylbenzene?
benzylsulfanylmethylbenzene has a molecular weight of 214.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanylmethylbenzene is sourced from PubChem (CID 10867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).