diphenyl ethanediimidothioate

C14H12N2S2 — CID 14618450

IUPACdiphenyl ethanediimidothioate
SMILES[H]/N=C(Sc1ccccc1)\C(=N/[H])Sc1ccccc1
InChIInChI=1S/C14H12N2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10,15-16H/b15-13+,16-14+
InChIKeyNRHYOSHCBUKRAW-WXUKJITCSA-N
MW272.40 g/mol
LogP4.53
Rot. Bonds2

About diphenyl ethanediimidothioate

diphenyl ethanediimidothioate (PubChem CID 14618450) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is diphenyl ethanediimidothioate.

Molecular Properties

Compound Namediphenyl ethanediimidothioate
PubChem CID14618450
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Namediphenyl ethanediimidothioate
SMILES[H]/N=C(Sc1ccccc1)\C(=N/[H])Sc1ccccc1
InChIInChI=1S/C14H12N2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10,15-16H/b15-13+,16-14+
InChIKeyNRHYOSHCBUKRAW-WXUKJITCSA-N
XLogP4.53
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Diphenyl sulfide
CID 8766
S,S-Diphenylsulfilimine
CID 608422
1,1'-Sulfanediyldi(~2~H_5_)benzene
CID 71309031
(Phenylsulfonodiimidoyl)benzene
CID 12474126
1,1'-(Buta-1,3-diene-2,3-diyldisulfanediyl)dibenzene
CID 14069176
2,2-Bis(phenylsulfanyl)propanedinitrile
CID 15739810
Diaminodiphenyl sulfane
CID 19827321
Azane;phenylsulfanylbenzene
CID 68142934
Phenyl ethanimidothioate
CID 110191439
(Diphenyl-lambda4-sulfanylidene)methanediamine
CID 129649104
CID 145829884
CID 145829884
Phenyl 3-(4-fluorophenyl)sulfanyl-2-sulfanylprop-2-enimidothioate
CID 89186355

Frequently Asked Questions

What is the IUPAC name of diphenyl ethanediimidothioate?
The IUPAC name of diphenyl ethanediimidothioate (CID 14618450) is diphenyl ethanediimidothioate.
What is the SMILES notation for diphenyl ethanediimidothioate?
The canonical SMILES for diphenyl ethanediimidothioate is [H]/N=C(Sc1ccccc1)\C(=N/[H])Sc1ccccc1.
What is the InChIKey of diphenyl ethanediimidothioate?
The InChIKey is NRHYOSHCBUKRAW-WXUKJITCSA-N. The full InChI is InChI=1S/C14H12N2S2/c15-13(17-11-7-3-1-4-8-11)14(16)18-12-9-5-2-6-10-12/h1-10,15-16H/b15-13+,16-14+.
What are the key properties of diphenyl ethanediimidothioate?
diphenyl ethanediimidothioate has a molecular weight of 272.40 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl ethanediimidothioate is sourced from PubChem (CID 14618450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).