2-sulfanylidene-1H-pyridine-3-carbohydrazide

C6H7N3OS — CID 45116993

IUPAC2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H7N3OS/c7-9-5(10)4-2-1-3-8-6(4)11/h1-3H,7H2,(H,8,11)(H,9,10)
InChIKeyCCXSUYUCCHUHMP-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.35
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-3-carbohydrazide

2-sulfanylidene-1H-pyridine-3-carbohydrazide (PubChem CID 45116993) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3-carbohydrazide
PubChem CID45116993
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-sulfanylidene-1H-pyridine-3-carbohydrazide
SMILESNNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H7N3OS/c7-9-5(10)4-2-1-3-8-6(4)11/h1-3H,7H2,(H,8,11)(H,9,10)
InChIKeyCCXSUYUCCHUHMP-UHFFFAOYSA-N
XLogP0.35
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
2-Mercaptonicotinamide
CID 4143093
2-Oxo-1,2-dihydropyridine-3-carbohydrazide
CID 45084358
N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 139492782
1,2-Dihydropyridine-3-carbohydrazide
CID 141088843
3-(Hydrazinylmethyl)pyridin-2(1H)-one
CID 141717655
2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide
CID 153363415
N'-(3-methylbutanoyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18167828
1-Methyl-2-thioxo-1,2-dihydro-3-pyridinecarbohydrazide
CID 30775757
N'-(cyclopropanecarbonyl)-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 36706427
2-sulfanylidene-1H-pyridine-4-carbohydrazide
CID 119093808
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 122236766

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3-carbohydrazide (CID 45116993) is 2-sulfanylidene-1H-pyridine-3-carbohydrazide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3-carbohydrazide is NNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3-carbohydrazide?
The InChIKey is CCXSUYUCCHUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c7-9-5(10)4-2-1-3-8-6(4)11/h1-3H,7H2,(H,8,11)(H,9,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-3-carbohydrazide?
2-sulfanylidene-1H-pyridine-3-carbohydrazide has a molecular weight of 169.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3-carbohydrazide is sourced from PubChem (CID 45116993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).