methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate

C11H14N2O2S — CID 142831004

IUPACmethyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate
SMILESCO/C(CSC)=N\N=C\c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-11(8-16-2)13-12-7-9-3-5-10(14)6-4-9/h3-7,14H,8H2,1-2H3/b12-7+,13-11-
InChIKeyLIBJJPIPKRUGEK-MHUJIAIDSA-N
MW238.31 g/mol
LogP2.13
Rot. Bonds4

About methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate

methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate (PubChem CID 142831004) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate.

Molecular Properties

Compound Namemethyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate
PubChem CID142831004
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Namemethyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate
SMILESCO/C(CSC)=N\N=C\c1ccc(O)cc1
InChIInChI=1S/C11H14N2O2S/c1-15-11(8-16-2)13-12-7-9-3-5-10(14)6-4-9/h3-7,14H,8H2,1-2H3/b12-7+,13-11-
InChIKeyLIBJJPIPKRUGEK-MHUJIAIDSA-N
XLogP2.13
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate?
The IUPAC name of methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate (CID 142831004) is methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate.
What is the SMILES notation for methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate?
The canonical SMILES for methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate is CO/C(CSC)=N\N=C\c1ccc(O)cc1.
What is the InChIKey of methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate?
The InChIKey is LIBJJPIPKRUGEK-MHUJIAIDSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-15-11(8-16-2)13-12-7-9-3-5-10(14)6-4-9/h3-7,14H,8H2,1-2H3/b12-7+,13-11-.
What are the key properties of methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate?
methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate has a molecular weight of 238.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE,1Z)-N-[(4-hydroxyphenyl)methylidene]-2-methylsulfanylethanehydrazonate is sourced from PubChem (CID 142831004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).