(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate

C8H11N9S2 — CID 174641003

IUPAC(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate
SMILES[H]/N=N/C(=NN)Sc1cnc(SC(=NN)/N=N/[H])c(C)c1
InChIInChI=1S/C8H11N9S2/c1-4-2-5(18-7(14-9)15-10)3-13-6(4)19-8(16-11)17-12/h2-3,9,11H,10,12H2,1H3/b14-9+,15-7?,16-11+,17-8?
InChIKeyHAUGTLWRIYFPQI-GDWCMMPOSA-N
MW297.37 g/mol
LogP2.10
Rot. Bonds2

About (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate

(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate (PubChem CID 174641003) has the molecular formula C8H11N9S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate.

Molecular Properties

Compound Name(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate
PubChem CID174641003
Molecular FormulaC8H11N9S2
Molecular Weight297.37 g/mol
Exact Mass297.06
IUPAC Name(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate
SMILES[H]/N=N/C(=NN)Sc1cnc(SC(=NN)/N=N/[H])c(C)c1
InChIInChI=1S/C8H11N9S2/c1-4-2-5(18-7(14-9)15-10)3-13-6(4)19-8(16-11)17-12/h2-3,9,11H,10,12H2,1H3/b14-9+,15-7?,16-11+,17-8?
InChIKeyHAUGTLWRIYFPQI-GDWCMMPOSA-N
XLogP2.10
TPSA162.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate?
The IUPAC name of (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate (CID 174641003) is (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate.
What is the SMILES notation for (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate?
The canonical SMILES for (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate is [H]/N=N/C(=NN)Sc1cnc(SC(=NN)/N=N/[H])c(C)c1.
What is the InChIKey of (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate?
The InChIKey is HAUGTLWRIYFPQI-GDWCMMPOSA-N. The full InChI is InChI=1S/C8H11N9S2/c1-4-2-5(18-7(14-9)15-10)3-13-6(4)19-8(16-11)17-12/h2-3,9,11H,10,12H2,1H3/b14-9+,15-7?,16-11+,17-8?.
What are the key properties of (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate?
(6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate has a molecular weight of 297.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6-formazan-3-ylsulfanyl-5-methyl-3-pyridinyl) N'-amino-N-iminocarbamimidothioate is sourced from PubChem (CID 174641003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).