4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate

C6H16N6S2 — CID 54603017

IUPAC4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
SMILESN/N=C(/N)SCCCCS/C(N)=N/N
InChIInChI=1S/C6H16N6S2/c7-5(11-9)13-3-1-2-4-14-6(8)12-10/h1-4,9-10H2,(H2,7,11)(H2,8,12)
InChIKeyMUIVABLVMPFUSQ-UHFFFAOYSA-N
MW236.37 g/mol
LogP-0.39
Rot. Bonds5

About 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate

4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate (PubChem CID 54603017) has the molecular formula C6H16N6S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
PubChem CID54603017
Molecular FormulaC6H16N6S2
Molecular Weight236.37 g/mol
Exact Mass236.09
IUPAC Name4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate
SMILESN/N=C(/N)SCCCCS/C(N)=N/N
InChIInChI=1S/C6H16N6S2/c7-5(11-9)13-3-1-2-4-14-6(8)12-10/h1-4,9-10H2,(H2,7,11)(H2,8,12)
InChIKeyMUIVABLVMPFUSQ-UHFFFAOYSA-N
XLogP-0.39
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate 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 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate?
The IUPAC name of 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate (CID 54603017) is 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate.
What is the SMILES notation for 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate?
The canonical SMILES for 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate is N/N=C(/N)SCCCCS/C(N)=N/N.
What is the InChIKey of 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate?
The InChIKey is MUIVABLVMPFUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6S2/c7-5(11-9)13-3-1-2-4-14-6(8)12-10/h1-4,9-10H2,(H2,7,11)(H2,8,12).
What are the key properties of 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate?
4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate has a molecular weight of 236.37 g/mol, XLogP of -0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-C-aminocarbonohydrazonoyl]sulfanylbutyl N'-aminocarbamimidothioate is sourced from PubChem (CID 54603017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).