benzylsulfanylmethylbenzene;1,1'-biphenyl

C26H24S — CID 66703910

IUPACbenzylsulfanylmethylbenzene;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C14H14S.C12H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,11-12H2;1-10H
InChIKeyMIVZQXRWVPOLBE-UHFFFAOYSA-N
MW368.55 g/mol
LogP7.47
Rot. Bonds5

About benzylsulfanylmethylbenzene;1,1'-biphenyl

benzylsulfanylmethylbenzene;1,1'-biphenyl (PubChem CID 66703910) has the molecular formula C26H24S and a molecular weight of 368.55 g/mol. Its IUPAC name is benzylsulfanylmethylbenzene;1,1'-biphenyl.

Molecular Properties

Compound Namebenzylsulfanylmethylbenzene;1,1'-biphenyl
PubChem CID66703910
Molecular FormulaC26H24S
Molecular Weight368.55 g/mol
Exact Mass368.16
IUPAC Namebenzylsulfanylmethylbenzene;1,1'-biphenyl
SMILESc1ccc(-c2ccccc2)cc1.c1ccc(CSCc2ccccc2)cc1
InChIInChI=1S/C14H14S.C12H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,11-12H2;1-10H
InChIKeyMIVZQXRWVPOLBE-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzylsulfanylmethylbenzene;1,1'-biphenyl?
The IUPAC name of benzylsulfanylmethylbenzene;1,1'-biphenyl (CID 66703910) is benzylsulfanylmethylbenzene;1,1'-biphenyl.
What is the SMILES notation for benzylsulfanylmethylbenzene;1,1'-biphenyl?
The canonical SMILES for benzylsulfanylmethylbenzene;1,1'-biphenyl is c1ccc(-c2ccccc2)cc1.c1ccc(CSCc2ccccc2)cc1.
What is the InChIKey of benzylsulfanylmethylbenzene;1,1'-biphenyl?
The InChIKey is MIVZQXRWVPOLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.C12H10/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H,11-12H2;1-10H.
What are the key properties of benzylsulfanylmethylbenzene;1,1'-biphenyl?
benzylsulfanylmethylbenzene;1,1'-biphenyl has a molecular weight of 368.55 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanylmethylbenzene;1,1'-biphenyl is sourced from PubChem (CID 66703910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).