2,2-diphenyl-1,3-dithiolane

C15H14S2 — CID 22771

IUPAC2,2-diphenyl-1,3-dithiolane
SMILESc1ccc(C2(c3ccccc3)SCCS2)cc1
InChIInChI=1S/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyNPCVWOFQCBKKNO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.37
Rot. Bonds2

About 2,2-diphenyl-1,3-dithiolane

2,2-diphenyl-1,3-dithiolane (PubChem CID 22771) has the molecular formula C15H14S2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,2-diphenyl-1,3-dithiolane.

Molecular Properties

Compound Name2,2-diphenyl-1,3-dithiolane
PubChem CID22771
Molecular FormulaC15H14S2
Molecular Weight258.41 g/mol
Exact Mass258.05
IUPAC Name2,2-diphenyl-1,3-dithiolane
SMILESc1ccc(C2(c3ccccc3)SCCS2)cc1
InChIInChI=1S/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyNPCVWOFQCBKKNO-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzyl Disulfide
CID 9012
Dibenzyl sulfide
CID 10867
Benzyl sulfoxide
CID 12116
Trisulfide, bis(phenylmethyl)
CID 122842
Thiophene, tetrahydro-3-phenyl-, 1-oxide
CID 583027
2-Phenyl-1,3-dithiane
CID 21547
Benzyl phenyl sulfide
CID 13255
1,3-Dithiolane, 2-phenyl-, 1,3-dioxide
CID 56911
2-Methyl-2-phenyl-1,3-dithiolane
CID 21992
4,4'-Bis(mercaptomethyl)biphenyl
CID 373780
Mls002920509
CID 284509
Phenethyl phenyl sulfide
CID 139634

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1,3-dithiolane?
The IUPAC name of 2,2-diphenyl-1,3-dithiolane (CID 22771) is 2,2-diphenyl-1,3-dithiolane.
What is the SMILES notation for 2,2-diphenyl-1,3-dithiolane?
The canonical SMILES for 2,2-diphenyl-1,3-dithiolane is c1ccc(C2(c3ccccc3)SCCS2)cc1.
What is the InChIKey of 2,2-diphenyl-1,3-dithiolane?
The InChIKey is NPCVWOFQCBKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2,2-diphenyl-1,3-dithiolane?
2,2-diphenyl-1,3-dithiolane has a molecular weight of 258.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1,3-dithiolane is sourced from PubChem (CID 22771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).