(2-chlorophenyl) N,N'-diphenylcarbamimidothioate

C19H15ClN2S — CID 134917443

IUPAC(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
SMILESClc1ccccc1S/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H15ClN2S/c20-17-13-7-8-14-18(17)23-19(21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyFFIZCWFCLVYDSK-UHFFFAOYSA-N
MW338.86 g/mol
LogP6.23
Rot. Bonds3

About (2-chlorophenyl) N,N'-diphenylcarbamimidothioate

(2-chlorophenyl) N,N'-diphenylcarbamimidothioate (PubChem CID 134917443) has the molecular formula C19H15ClN2S and a molecular weight of 338.86 g/mol. Its IUPAC name is (2-chlorophenyl) N,N'-diphenylcarbamimidothioate.

Molecular Properties

Compound Name(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
PubChem CID134917443
Molecular FormulaC19H15ClN2S
Molecular Weight338.86 g/mol
Exact Mass338.06
IUPAC Name(2-chlorophenyl) N,N'-diphenylcarbamimidothioate
SMILESClc1ccccc1S/C(=N\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C19H15ClN2S/c20-17-13-7-8-14-18(17)23-19(21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14H,(H,21,22)
InChIKeyFFIZCWFCLVYDSK-UHFFFAOYSA-N
XLogP6.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 56.23
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

[(E)-prop-1-enyl] N,N'-diphenylcarbamimidothioate
CID 6382718
[(E)-2-anilino-3-(2-chlorophenyl)sulfanylbut-2-enyl] acetate
CID 142226542
N,N',3-triphenylprop-2-ynimidamide
CID 139160871
[(R)-(3-oxo-4H-quinoxalin-2-yl)-phenylmethyl] N,N'-diphenylcarbamimidothioate
CID 27153620
dimethylgallane;N,N'-diphenylethanimidamide
CID 173308791
1-chloro-2-hydroxysulfanylbenzene
CID 67172287
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
1-amino-2-(2,6-dichlorophenyl)-3-phenylguanidine
CID 116515439
3-triethoxysilylpropyl N,N'-diphenylcarbamimidothioate
CID 91997824
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
N-[1-(2-chlorophenyl)ethenyl]aniline
CID 155122535
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) N,N'-diphenylcarbamimidothioate?
The IUPAC name of (2-chlorophenyl) N,N'-diphenylcarbamimidothioate (CID 134917443) is (2-chlorophenyl) N,N'-diphenylcarbamimidothioate.
What is the SMILES notation for (2-chlorophenyl) N,N'-diphenylcarbamimidothioate?
The canonical SMILES for (2-chlorophenyl) N,N'-diphenylcarbamimidothioate is Clc1ccccc1S/C(=N\c1ccccc1)Nc1ccccc1.
What is the InChIKey of (2-chlorophenyl) N,N'-diphenylcarbamimidothioate?
The InChIKey is FFIZCWFCLVYDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2S/c20-17-13-7-8-14-18(17)23-19(21-15-9-3-1-4-10-15)22-16-11-5-2-6-12-16/h1-14H,(H,21,22).
What are the key properties of (2-chlorophenyl) N,N'-diphenylcarbamimidothioate?
(2-chlorophenyl) N,N'-diphenylcarbamimidothioate has a molecular weight of 338.86 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) N,N'-diphenylcarbamimidothioate is sourced from PubChem (CID 134917443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).