3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate

C5H14N6S2 — CID 5473868

IUPAC3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
SMILESN/N=C(/N)SCCCS/C(N)=N\N
InChIInChI=1S/C5H14N6S2/c6-4(10-8)12-2-1-3-13-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11)
InChIKeyIDAOEKSUGRXVHA-UHFFFAOYSA-N
MW222.34 g/mol
LogP-0.78
Rot. Bonds4

About 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate

3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate (PubChem CID 5473868) has the molecular formula C5H14N6S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate.

Molecular Properties

Compound Name3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
PubChem CID5473868
Molecular FormulaC5H14N6S2
Molecular Weight222.34 g/mol
Exact Mass222.07
IUPAC Name3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate
SMILESN/N=C(/N)SCCCS/C(N)=N\N
InChIInChI=1S/C5H14N6S2/c6-4(10-8)12-2-1-3-13-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11)
InChIKeyIDAOEKSUGRXVHA-UHFFFAOYSA-N
XLogP-0.78
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 5-0.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate?
The IUPAC name of 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate (CID 5473868) is 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate.
What is the SMILES notation for 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate?
The canonical SMILES for 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate is N/N=C(/N)SCCCS/C(N)=N\N.
What is the InChIKey of 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate?
The InChIKey is IDAOEKSUGRXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N6S2/c6-4(10-8)12-2-1-3-13-5(7)11-9/h1-3,8-9H2,(H2,6,10)(H2,7,11).
What are the key properties of 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate?
3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate has a molecular weight of 222.34 g/mol, XLogP of -0.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-C-aminocarbonohydrazonoyl]sulfanylpropyl N'-aminocarbamimidothioate is sourced from PubChem (CID 5473868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).