1-methyl-2-sulfanylidenepyridine-3-carbohydrazide

C7H9N3OS — CID 30775757

IUPAC1-methyl-2-sulfanylidenepyridine-3-carbohydrazide
SMILESCn1cccc(C(=O)NN)c1=S
InChIInChI=1S/C7H9N3OS/c1-10-4-2-3-5(7(10)12)6(11)9-8/h2-4H,8H2,1H3,(H,9,11)
InChIKeyIGZVHLPMZJSQCH-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.36
Rot. Bonds1

About 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide

1-methyl-2-sulfanylidenepyridine-3-carbohydrazide (PubChem CID 30775757) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-2-sulfanylidenepyridine-3-carbohydrazide
PubChem CID30775757
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name1-methyl-2-sulfanylidenepyridine-3-carbohydrazide
SMILESCn1cccc(C(=O)NN)c1=S
InChIInChI=1S/C7H9N3OS/c1-10-4-2-3-5(7(10)12)6(11)9-8/h2-4H,8H2,1H3,(H,9,11)
InChIKeyIGZVHLPMZJSQCH-UHFFFAOYSA-N
XLogP0.36
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
N-ethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 139492782
1,2-Dihydropyridine-3-carbohydrazide
CID 141088843
1-Propyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452044
1-Ethyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452053
1-Methyl-2-sulfanylidenepyridine-3-carboxamide
CID 146452056
1-Methyl-2-oxo-1,2-dihydropyridine-3-carbohydrazide
CID 82527246
N',N'-dimethyl-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 122236766
1-Methyl-2-oxo-1,2-dihydropyridine-3-carbohydrazide hydrochloride
CID 130768249
2-sulfanylidene-1H-pyridine-3-carbohydrazide;hydrochloride
CID 131110619

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide?
The IUPAC name of 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide (CID 30775757) is 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide.
What is the SMILES notation for 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide?
The canonical SMILES for 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide is Cn1cccc(C(=O)NN)c1=S.
What is the InChIKey of 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide?
The InChIKey is IGZVHLPMZJSQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-10-4-2-3-5(7(10)12)6(11)9-8/h2-4H,8H2,1H3,(H,9,11).
What are the key properties of 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide?
1-methyl-2-sulfanylidenepyridine-3-carbohydrazide has a molecular weight of 183.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-sulfanylidenepyridine-3-carbohydrazide is sourced from PubChem (CID 30775757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).