1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate

C15H18N6S2 — CID 143179510

IUPAC1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate
SMILESC=C(SS/C(=N/N)N(N)c1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C15H18N6S2/c1-12(20(17)13-8-4-2-5-9-13)22-23-15(19-16)21(18)14-10-6-3-7-11-14/h2-11H,1,16-18H2/b19-15+
InChIKeySXVYAYKTNDECSU-XDJHFCHBSA-N
MW346.49 g/mol
LogP2.83
Rot. Bonds5

About 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate

1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate (PubChem CID 143179510) has the molecular formula C15H18N6S2 and a molecular weight of 346.49 g/mol. Its IUPAC name is 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate.

Molecular Properties

Compound Name1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate
PubChem CID143179510
Molecular FormulaC15H18N6S2
Molecular Weight346.49 g/mol
Exact Mass346.10
IUPAC Name1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate
SMILESC=C(SS/C(=N/N)N(N)c1ccccc1)N(N)c1ccccc1
InChIInChI=1S/C15H18N6S2/c1-12(20(17)13-8-4-2-5-9-13)22-23-15(19-16)21(18)14-10-6-3-7-11-14/h2-11H,1,16-18H2/b19-15+
InChIKeySXVYAYKTNDECSU-XDJHFCHBSA-N
XLogP2.83
TPSA96.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(N-amino-N-phenylcarbamimidoyl)sulfanyl N,N'-diamino-N-phenylcarbamimidothioate
CID 146498956
tert-butyl N-[2-[(E)-N-amino-N-phenylcarbamohydrazonoyl]sulfanylethyl]-N-methylcarbamate
CID 139477788
1-[(2Z)-4-methylpenta-2,4-dien-2-yl]-1-phenylhydrazine
CID 163586551
1-amino-3-(4-chlorophenyl)-1-phenylurea
CID 174468778
1-[(Z)-but-2-en-2-yl]-1-phenylhydrazine;ethane
CID 143746169
2-amino-N-phenylacetohydrazide
CID 70067236
[4-(N-formyl-4-nitroanilino)-4-oxobutan-2-yl] N,N'-diamino-N-phenylcarbamimidothioate
CID 145176562
(2E)-2-[amino-(N-aminoanilino)methylidene]-3-(aminomethyl)but-3-enenitrile
CID 89215846
N-phenylpropanehydrazide
CID 18522904
2-amino-1-(hydroxymethyl)-1-phenylguanidine
CID 141002742
4-[[(E)-C-[2-(4-acetylphenyl)-2-oxoethyl]sulfanylcarbonohydrazonoyl]-aminoamino]benzoic acid
CID 146608945
O-methyl N-amino-N-phenylcarbamothioate;hydroiodide
CID 87761740

Frequently Asked Questions

What is the IUPAC name of 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate?
The IUPAC name of 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate (CID 143179510) is 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate.
What is the SMILES notation for 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate?
The canonical SMILES for 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate is C=C(SS/C(=N/N)N(N)c1ccccc1)N(N)c1ccccc1.
What is the InChIKey of 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate?
The InChIKey is SXVYAYKTNDECSU-XDJHFCHBSA-N. The full InChI is InChI=1S/C15H18N6S2/c1-12(20(17)13-8-4-2-5-9-13)22-23-15(19-16)21(18)14-10-6-3-7-11-14/h2-11H,1,16-18H2/b19-15+.
What are the key properties of 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate?
1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate has a molecular weight of 346.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-aminoanilino)ethenylsulfanyl N,N'-diamino-N-phenylcarbamimidothioate is sourced from PubChem (CID 143179510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).