[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate

C16H16N2S — CID 6382718

IUPAC[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
SMILESC/C=C/S/C(=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2S/c1-2-13-19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h2-13H,1H3,(H,17,18)/b13-2+
InChIKeyYDKYFODTSPCZQY-XNJYKOPJSA-N
MW268.39 g/mol
LogP5.05
Rot. Bonds3

About [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate

[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate (PubChem CID 6382718) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate.

Molecular Properties

Compound Name[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
PubChem CID6382718
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
SMILESC/C=C/S/C(=N/c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2S/c1-2-13-19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h2-13H,1H3,(H,17,18)/b13-2+
InChIKeyYDKYFODTSPCZQY-XNJYKOPJSA-N
XLogP5.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
CID 134917443
3-triethoxysilylpropyl N,N'-diphenylcarbamimidothioate
CID 91997824
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
N,N',3-triphenylprop-2-ynimidamide
CID 139160871
methyl N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate
CID 4564730
methyl N-(2-oxo-2-phenylacetyl)-N'-phenylcarbamimidothioate
CID 136680231
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
(Z)-N-phenylbut-2-enamide
CID 59909226
[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl] N,N'-diphenylcarbamimidothioate
CID 4642499
N'-(N,N'-diphenylcarbamimidoyl)propanimidamide
CID 102035335
3-(1-anilinoethenylamino)-N'-phenylbut-2-enimidamide
CID 173491524
N-penta-1,3-dien-2-yl-N'-phenylethanimidamide
CID 123975051

Frequently Asked Questions

What is the IUPAC name of [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate?
The IUPAC name of [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate (CID 6382718) is [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate.
What is the SMILES notation for [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate?
The canonical SMILES for [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate is C/C=C/S/C(=N/c1ccccc1)Nc1ccccc1.
What is the InChIKey of [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate?
The InChIKey is YDKYFODTSPCZQY-XNJYKOPJSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-13-19-16(17-14-9-5-3-6-10-14)18-15-11-7-4-8-12-15/h2-13H,1H3,(H,17,18)/b13-2+.
What are the key properties of [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate?
[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate has a molecular weight of 268.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate is sourced from PubChem (CID 6382718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).