(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile

C18H14N2S — CID 13067869

IUPAC(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile
SMILESN#C[C@@H]1CSC(c2ccccc2)(c2ccccc2)[C@H]1C#N
InChIInChI=1S/C18H14N2S/c19-11-14-13-21-18(17(14)12-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,13H2/t14-,17+/m1/s1
InChIKeyRFKLLXUFUKJMJA-PBHICJAKSA-N
MW290.39 g/mol
LogP3.96
Rot. Bonds2

About (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile

(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile (PubChem CID 13067869) has the molecular formula C18H14N2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile.

Molecular Properties

Compound Name(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile
PubChem CID13067869
Molecular FormulaC18H14N2S
Molecular Weight290.39 g/mol
Exact Mass290.09
IUPAC Name(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile
SMILESN#C[C@@H]1CSC(c2ccccc2)(c2ccccc2)[C@H]1C#N
InChIInChI=1S/C18H14N2S/c19-11-14-13-21-18(17(14)12-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,13H2/t14-,17+/m1/s1
InChIKeyRFKLLXUFUKJMJA-PBHICJAKSA-N
XLogP3.96
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-diphenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarbonitrile
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trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
CID 136675857
CID 136675857
2-fluoro-2-phenylcyclopropane-1-carbonitrile
CID 102180676
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
2-phenylcycloheptane-1-carbonitrile
CID 82241213
3-[(2,2-diphenylthiolan-3-yl)disulfanyl]-2,2-diphenylthiolane
CID 13207735
[(3R,4R)-2,2-diphenyl-4-(trifluoromethyl)thiolan-3-yl]-phenylmethanone
CID 139088698
2-methyl-1-phenylcyclobutane-1-carbonitrile
CID 23294917
4-phenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene-9,12-dicarbonitrile
CID 102395953
1,3,10,12-tetraphenylpentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17-octaene-19,20-dicarbonitrile
CID 139244735
2,2-dibenzyl-1,3-thiazolidine-4-carbonitrile
CID 21316403

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile?
The IUPAC name of (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile (CID 13067869) is (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile.
What is the SMILES notation for (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile?
The canonical SMILES for (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile is N#C[C@@H]1CSC(c2ccccc2)(c2ccccc2)[C@H]1C#N.
What is the InChIKey of (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile?
The InChIKey is RFKLLXUFUKJMJA-PBHICJAKSA-N. The full InChI is InChI=1S/C18H14N2S/c19-11-14-13-21-18(17(14)12-20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,13H2/t14-,17+/m1/s1.
What are the key properties of (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile?
(3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile has a molecular weight of 290.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,2-diphenylthiolane-3,4-dicarbonitrile is sourced from PubChem (CID 13067869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).