phenylsulfanylbenzene

C12H10S — CID 8766

IUPACphenylsulfanylbenzene
SMILESc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKeyLTYMSROWYAPPGB-UHFFFAOYSA-N
MW186.28 g/mol
LogP3.84
Rot. Bonds2

About phenylsulfanylbenzene

phenylsulfanylbenzene (PubChem CID 8766) has the molecular formula C12H10S and a molecular weight of 186.28 g/mol. Its IUPAC name is phenylsulfanylbenzene.

Molecular Properties

Compound Namephenylsulfanylbenzene
PubChem CID8766
Molecular FormulaC12H10S
Molecular Weight186.28 g/mol
Exact Mass186.05
IUPAC Namephenylsulfanylbenzene
SMILESc1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKeyLTYMSROWYAPPGB-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diphenyl disulfide
CID 13436
Diphenyl sulfone
CID 31386
Thioanisole
CID 7520
Diphenyl sulfoxide
CID 13679
Benzene, 1,1'-(1,2-ethanediylbis(thio))bis-
CID 69317
Phenyl Vinyl Sulfide
CID 74572
(Ethylthio)benzene
CID 12144
Thianthrene
CID 7109
Thiocyanic acid, phenyl ester
CID 21357
Phenyl propyl sulfide
CID 13407
Benzyl phenyl sulfide
CID 13255
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylbenzene?
The IUPAC name of phenylsulfanylbenzene (CID 8766) is phenylsulfanylbenzene.
What is the SMILES notation for phenylsulfanylbenzene?
The canonical SMILES for phenylsulfanylbenzene is c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of phenylsulfanylbenzene?
The InChIKey is LTYMSROWYAPPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenylsulfanylbenzene?
phenylsulfanylbenzene has a molecular weight of 186.28 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylbenzene is sourced from PubChem (CID 8766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).