2-tritylsulfanylacetohydrazide

C21H20N2OS — CID 22142131

IUPAC2-tritylsulfanylacetohydrazide
SMILESNNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c22-23-20(24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2,(H,23,24)
InChIKeyIUAHTTZJMVSLCX-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.70
Rot. Bonds6

About 2-tritylsulfanylacetohydrazide

2-tritylsulfanylacetohydrazide (PubChem CID 22142131) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-tritylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-tritylsulfanylacetohydrazide
PubChem CID22142131
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-tritylsulfanylacetohydrazide
SMILESNNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2OS/c22-23-20(24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2,(H,23,24)
InChIKeyIUAHTTZJMVSLCX-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.70
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tritylsulfanylacetohydrazide?
The IUPAC name of 2-tritylsulfanylacetohydrazide (CID 22142131) is 2-tritylsulfanylacetohydrazide.
What is the SMILES notation for 2-tritylsulfanylacetohydrazide?
The canonical SMILES for 2-tritylsulfanylacetohydrazide is NNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-tritylsulfanylacetohydrazide?
The InChIKey is IUAHTTZJMVSLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c22-23-20(24)16-25-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16,22H2,(H,23,24).
What are the key properties of 2-tritylsulfanylacetohydrazide?
2-tritylsulfanylacetohydrazide has a molecular weight of 348.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritylsulfanylacetohydrazide is sourced from PubChem (CID 22142131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).