sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide

C7H7N4NaOS — CID 135959442

IUPACsodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide
SMILESNC(=S)[N-]N=Cc1ccc(O)cn1.[Na+]
InChIInChI=1S/C7H8N4OS.Na/c8-7(13)11-10-3-5-1-2-6(12)4-9-5;/h1-4H,(H4,8,9,10,11,12,13);/q;+1/p-1
InChIKeyUTGZOXAHFUVIRJ-UHFFFAOYSA-M
MW218.22 g/mol
LogP-2.26
Rot. Bonds2

About sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide

sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide (PubChem CID 135959442) has the molecular formula C7H7N4NaOS and a molecular weight of 218.22 g/mol. Its IUPAC name is sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide.

Molecular Properties

Compound Namesodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide
PubChem CID135959442
Molecular FormulaC7H7N4NaOS
Molecular Weight218.22 g/mol
Exact Mass218.02
IUPAC Namesodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide
SMILESNC(=S)[N-]N=Cc1ccc(O)cn1.[Na+]
InChIInChI=1S/C7H8N4OS.Na/c8-7(13)11-10-3-5-1-2-6(12)4-9-5;/h1-4H,(H4,8,9,10,11,12,13);/q;+1/p-1
InChIKeyUTGZOXAHFUVIRJ-UHFFFAOYSA-M
XLogP-2.26
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide?
The IUPAC name of sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide (CID 135959442) is sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide.
What is the SMILES notation for sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide?
The canonical SMILES for sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide is NC(=S)[N-]N=Cc1ccc(O)cn1.[Na+].
What is the InChIKey of sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide?
The InChIKey is UTGZOXAHFUVIRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N4OS.Na/c8-7(13)11-10-3-5-1-2-6(12)4-9-5;/h1-4H,(H4,8,9,10,11,12,13);/q;+1/p-1.
What are the key properties of sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide?
sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide has a molecular weight of 218.22 g/mol, XLogP of -2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium carbamothioyl-[(5-hydroxy-2-pyridinyl)methylideneamino]azanide is sourced from PubChem (CID 135959442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).