1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene

C26H22S2 — CID 5199420

IUPAC1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
SMILESc1ccc(CSc2ccccc2-c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C26H22S2/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28-20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyCSDWHELRRQDVNC-UHFFFAOYSA-N
MW398.60 g/mol
LogP7.94
Rot. Bonds7

About 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene

1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene (PubChem CID 5199420) has the molecular formula C26H22S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
PubChem CID5199420
Molecular FormulaC26H22S2
Molecular Weight398.60 g/mol
Exact Mass398.12
IUPAC Name1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
SMILESc1ccc(CSc2ccccc2-c2ccccc2SCc2ccccc2)cc1
InChIInChI=1S/C26H22S2/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28-20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyCSDWHELRRQDVNC-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
1-benzylsulfanyl-2-(2-methylpropyl)benzene
CID 57222449
2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823589
4-(2-benzylsulfanylphenyl)-1,3-benzoxazole
CID 173234845
2-(2-benzylsulfanylphenyl)-1,3,4-oxadiazole
CID 117061254
2-[2-[[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]-6-phenylphenol
CID 20749719
(1R)-1-(2-benzylsulfanylphenyl)ethanol
CID 63812589
(2R)-1-(2-benzylsulfanylphenyl)propan-2-amine
CID 124557626
tris[2-(2-benzylsulfanylphenyl)-3-pyridinyl]indigane
CID 87873520
acetaldehyde;1-benzylsulfanyl-2-methylbenzene
CID 142946085
1-benzylsulfanyl-2-chloro-3-methylbenzene
CID 138676807
5-(2-benzylsulfanylphenyl)furo[2,3-b]pyridine
CID 90925144

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene?
The IUPAC name of 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene (CID 5199420) is 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene.
What is the SMILES notation for 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene?
The canonical SMILES for 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene is c1ccc(CSc2ccccc2-c2ccccc2SCc2ccccc2)cc1.
What is the InChIKey of 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene?
The InChIKey is CSDWHELRRQDVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S2/c1-3-11-21(12-4-1)19-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28-20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene?
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene has a molecular weight of 398.60 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene is sourced from PubChem (CID 5199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).