[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid

C10H12N2OS2 — CID 137152723

IUPAC[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
SMILESC/C(=N\NC(=S)S)c1cc(C)ccc1O
InChIInChI=1S/C10H12N2OS2/c1-6-3-4-9(13)8(5-6)7(2)11-12-10(14)15/h3-5,13H,1-2H3,(H2,12,14,15)/b11-7+
InChIKeyHHPKSGIHRCRSBB-YRNVUSSQSA-N
MW240.35 g/mol
LogP2.23
Rot. Bonds2

About [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid

[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid (PubChem CID 137152723) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid.

Molecular Properties

Compound Name[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
PubChem CID137152723
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid
SMILESC/C(=N\NC(=S)S)c1cc(C)ccc1O
InChIInChI=1S/C10H12N2OS2/c1-6-3-4-9(13)8(5-6)7(2)11-12-10(14)15/h3-5,13H,1-2H3,(H2,12,14,15)/b11-7+
InChIKeyHHPKSGIHRCRSBB-YRNVUSSQSA-N
XLogP2.23
TPSA44.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-hydroxy-5-methylphenyl)ethylideneamino]urea
CID 4521675
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
1-cyclohexyl-3-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]thiourea
CID 135731260
tert-butyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730413
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
1-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 135733309
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 136727514

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid?
The IUPAC name of [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid (CID 137152723) is [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid.
What is the SMILES notation for [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid?
The canonical SMILES for [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid is C/C(=N\NC(=S)S)c1cc(C)ccc1O.
What is the InChIKey of [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid?
The InChIKey is HHPKSGIHRCRSBB-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6-3-4-9(13)8(5-6)7(2)11-12-10(14)15/h3-5,13H,1-2H3,(H2,12,14,15)/b11-7+.
What are the key properties of [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid?
[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid has a molecular weight of 240.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamodithioic acid is sourced from PubChem (CID 137152723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).