methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate

C10H12N2OS2 — CID 135583288

IUPACmethyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C10H12N2OS2/c1-7(11-12-10(14)15-2)8-5-3-4-6-9(8)13/h3-6,13H,1-2H3,(H,12,14)/b11-7+
InChIKeyHJMXEJLUUDWYFP-YRNVUSSQSA-N
MW240.35 g/mol
LogP2.35
Rot. Bonds2

About methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate

methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate (PubChem CID 135583288) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate
PubChem CID135583288
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Namemethyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C10H12N2OS2/c1-7(11-12-10(14)15-2)8-5-3-4-6-9(8)13/h3-6,13H,1-2H3,(H,12,14)/b11-7+
InChIKeyHJMXEJLUUDWYFP-YRNVUSSQSA-N
XLogP2.35
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate?
The IUPAC name of methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate (CID 135583288) is methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate.
What is the SMILES notation for methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate?
The canonical SMILES for methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate is CSC(=S)N/N=C(\C)c1ccccc1O.
What is the InChIKey of methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate?
The InChIKey is HJMXEJLUUDWYFP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-7(11-12-10(14)15-2)8-5-3-4-6-9(8)13/h3-6,13H,1-2H3,(H,12,14)/b11-7+.
What are the key properties of methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate?
methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate has a molecular weight of 240.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate is sourced from PubChem (CID 135583288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).