2-naphthalen-2-ylsulfanylacetohydrazide

C12H12N2OS — CID 785677

IUPAC2-naphthalen-2-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C12H12N2OS/c13-14-12(15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)
InChIKeyIRXWWFNPDTWLRO-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.92
Rot. Bonds3

About 2-naphthalen-2-ylsulfanylacetohydrazide

2-naphthalen-2-ylsulfanylacetohydrazide (PubChem CID 785677) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylacetohydrazide
PubChem CID785677
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-naphthalen-2-ylsulfanylacetohydrazide
SMILESNNC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C12H12N2OS/c13-14-12(15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)
InChIKeyIRXWWFNPDTWLRO-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylacetohydrazide?
The IUPAC name of 2-naphthalen-2-ylsulfanylacetohydrazide (CID 785677) is 2-naphthalen-2-ylsulfanylacetohydrazide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylacetohydrazide?
The canonical SMILES for 2-naphthalen-2-ylsulfanylacetohydrazide is NNC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylacetohydrazide?
The InChIKey is IRXWWFNPDTWLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-14-12(15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15).
What are the key properties of 2-naphthalen-2-ylsulfanylacetohydrazide?
2-naphthalen-2-ylsulfanylacetohydrazide has a molecular weight of 232.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanylacetohydrazide is sourced from PubChem (CID 785677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).