benzyl N'-phenylcarbamimidothioate

C14H14N2S — CID 8774856

IUPACbenzyl N'-phenylcarbamimidothioate
SMILESN/C(=N\c1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H14N2S/c15-14(16-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
InChIKeyKDGYVBUIWDEWHZ-UHFFFAOYSA-N
MW242.35 g/mol
LogP3.57
Rot. Bonds3

About benzyl N'-phenylcarbamimidothioate

benzyl N'-phenylcarbamimidothioate (PubChem CID 8774856) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is benzyl N'-phenylcarbamimidothioate.

Molecular Properties

Compound Namebenzyl N'-phenylcarbamimidothioate
PubChem CID8774856
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Namebenzyl N'-phenylcarbamimidothioate
SMILESN/C(=N\c1ccccc1)SCc1ccccc1
InChIInChI=1S/C14H14N2S/c15-14(16-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
InChIKeyKDGYVBUIWDEWHZ-UHFFFAOYSA-N
XLogP3.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.57
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

4-(N'-phenylcarbamimidoyl)sulfanylbutyl N'-phenylcarbamimidothioate;hydrobromide
CID 54605449
benzyl N'-(propan-2-ylideneamino)carbamimidothioate
CID 5385994
(2-imidazol-1-ylphenyl)methyl N'-phenylcarbamimidothioate
CID 158769007
[4-(hydroxymethyl)phenyl]methyl N'-(4-methoxyphenyl)carbamimidothioate
CID 110004688
benzyl 3-benzylsulfanyl-N-phenylprop-2-enimidothioate
CID 69128645
benzyl N'-(cyclooctylideneamino)carbamimidothioate
CID 11820965
(4-oxo-3H-quinazolin-2-yl)methyl N'-phenylcarbamimidothioate
CID 135729671
[4,6-bis[(N'-phenylcarbamimidoyl)sulfanyl]-1,3,5-triazine-1,3,5-triium-2-yl] N'-phenylcarbamimidothioate
CID 135587733
benzyl N'-[(2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 172938914
3-(N'-phenylcarbamimidoyl)sulfanylpropyl N'-[4-(dimethylamino)phenyl]carbamimidothioate
CID 56836457
[2-oxo-2-(4-phenylphenyl)ethyl] N'-phenylcarbamimidothioate
CID 71674207
phenoxy N'-phenylcarbamimidothioate
CID 67856297

Frequently Asked Questions

What is the IUPAC name of benzyl N'-phenylcarbamimidothioate?
The IUPAC name of benzyl N'-phenylcarbamimidothioate (CID 8774856) is benzyl N'-phenylcarbamimidothioate.
What is the SMILES notation for benzyl N'-phenylcarbamimidothioate?
The canonical SMILES for benzyl N'-phenylcarbamimidothioate is N/C(=N\c1ccccc1)SCc1ccccc1.
What is the InChIKey of benzyl N'-phenylcarbamimidothioate?
The InChIKey is KDGYVBUIWDEWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c15-14(16-13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16).
What are the key properties of benzyl N'-phenylcarbamimidothioate?
benzyl N'-phenylcarbamimidothioate has a molecular weight of 242.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N'-phenylcarbamimidothioate is sourced from PubChem (CID 8774856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).