2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide

C17H28N2O2S — CID 19609589

IUPAC2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide
SMILESCC(C)(C)c1cc(CSCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O2S/c1-16(2,3)12-7-11(9-22-10-14(20)19-18)8-13(15(12)21)17(4,5)6/h7-8,21H,9-10,18H2,1-6H3,(H,19,20)
InChIKeyHITVMVIZNJIPPX-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.21
Rot. Bonds4

About 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide (PubChem CID 19609589) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide
PubChem CID19609589
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide
SMILESCC(C)(C)c1cc(CSCC(=O)NN)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H28N2O2S/c1-16(2,3)12-7-11(9-22-10-14(20)19-18)8-13(15(12)21)17(4,5)6/h7-8,21H,9-10,18H2,1-6H3,(H,19,20)
InChIKeyHITVMVIZNJIPPX-UHFFFAOYSA-N
XLogP3.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.21
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide?
The IUPAC name of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide (CID 19609589) is 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide is CC(C)(C)c1cc(CSCC(=O)NN)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide?
The InChIKey is HITVMVIZNJIPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-16(2,3)12-7-11(9-22-10-14(20)19-18)8-13(15(12)21)17(4,5)6/h7-8,21H,9-10,18H2,1-6H3,(H,19,20).
What are the key properties of 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide?
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide has a molecular weight of 324.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]acetohydrazide is sourced from PubChem (CID 19609589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).