2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide

C13H14N2OS — CID 2737033

IUPAC2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide
SMILESNNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C13H14N2OS/c14-15-13(16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,14H2,(H,15,16)
InChIKeyTXNPYVHNSAKCCH-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.06
Rot. Bonds4

About 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide

2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide (PubChem CID 2737033) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide
PubChem CID2737033
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide
SMILESNNC(=O)CSCc1cccc2ccccc12
InChIInChI=1S/C13H14N2OS/c14-15-13(16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,14H2,(H,15,16)
InChIKeyTXNPYVHNSAKCCH-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.06
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-1-ylmethylsulfanyl)acetohydrazide?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide (CID 2737033) is 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide is NNC(=O)CSCc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide?
The InChIKey is TXNPYVHNSAKCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-15-13(16)9-17-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,14H2,(H,15,16).
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide?
2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide has a molecular weight of 246.34 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)acetohydrazide is sourced from PubChem (CID 2737033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).