2-(4-phenylphenyl)-1,3-dithiane

C16H16S2 — CID 15040193

IUPAC2-(4-phenylphenyl)-1,3-dithiane
SMILESc1ccc(-c2ccc(C3SCCCS3)cc2)cc1
InChIInChI=1S/C16H16S2/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-17-11-4-12-18-16/h1-3,5-10,16H,4,11-12H2
InChIKeyNNNDWNVTLKPUSU-UHFFFAOYSA-N
MW272.44 g/mol
LogP5.22
Rot. Bonds2

About 2-(4-phenylphenyl)-1,3-dithiane

2-(4-phenylphenyl)-1,3-dithiane (PubChem CID 15040193) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1,3-dithiane
PubChem CID15040193
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name2-(4-phenylphenyl)-1,3-dithiane
SMILESc1ccc(-c2ccc(C3SCCCS3)cc2)cc1
InChIInChI=1S/C16H16S2/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-17-11-4-12-18-16/h1-3,5-10,16H,4,11-12H2
InChIKeyNNNDWNVTLKPUSU-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1,3-dithiocane
CID 100958713
2-[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]-1,3-dithiane
CID 19989566
[4-[4-(1,3-dithian-2-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 32758997
2-(4-isocyanophenyl)-1,3-dithiane
CID 168796589
difluoromethylbenzene;2-phenyl-1,3-dithiane;trifluoro(phenyl)-λ4-sulfane
CID 159362324
1,1'-biphenyl;cycloheptane
CID 174877368
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2-(3-fluorophenyl)-1,3-dithiane
CID 71345753
(2R,3R)-2,3-bis(4-phenylphenyl)oxirane
CID 15400082
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 17478347
[2-(benzylamino)-2-oxoethyl] 4-(1,3-dithian-2-yl)benzoate
CID 8594859
4-(1,3-dithian-2-yl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 86906475

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1,3-dithiane?
The IUPAC name of 2-(4-phenylphenyl)-1,3-dithiane (CID 15040193) is 2-(4-phenylphenyl)-1,3-dithiane.
What is the SMILES notation for 2-(4-phenylphenyl)-1,3-dithiane?
The canonical SMILES for 2-(4-phenylphenyl)-1,3-dithiane is c1ccc(-c2ccc(C3SCCCS3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-1,3-dithiane?
The InChIKey is NNNDWNVTLKPUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S2/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-17-11-4-12-18-16/h1-3,5-10,16H,4,11-12H2.
What are the key properties of 2-(4-phenylphenyl)-1,3-dithiane?
2-(4-phenylphenyl)-1,3-dithiane has a molecular weight of 272.44 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1,3-dithiane is sourced from PubChem (CID 15040193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).