2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide

C14H12N2O3S — CID 135992560

IUPAC2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
SMILESO=C(NNC(=S)c1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H12N2O3S/c17-10-7-5-9(6-8-10)14(20)16-15-13(19)11-3-1-2-4-12(11)18/h1-8,17-18H,(H,15,19)(H,16,20)
InChIKeyBITIKWARIZKCEI-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.71
Rot. Bonds2

About 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide

2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide (PubChem CID 135992560) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
PubChem CID135992560
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
SMILESO=C(NNC(=S)c1ccc(O)cc1)c1ccccc1O
InChIInChI=1S/C14H12N2O3S/c17-10-7-5-9(6-8-10)14(20)16-15-13(19)11-3-1-2-4-12(11)18/h1-8,17-18H,(H,15,19)(H,16,20)
InChIKeyBITIKWARIZKCEI-UHFFFAOYSA-N
XLogP1.71
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499
2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide
CID 122231349
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
N-[[(4-hydroxybenzoyl)amino]carbamothioyl]-2-iodobenzamide
CID 3519140
benzene-1,2-dicarboxamide;benzene-1,4-dicarboxamide;4-hydroxybenzamide
CID 157113286
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide?
The IUPAC name of 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide (CID 135992560) is 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide.
What is the SMILES notation for 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide?
The canonical SMILES for 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide is O=C(NNC(=S)c1ccc(O)cc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide?
The InChIKey is BITIKWARIZKCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-10-7-5-9(6-8-10)14(20)16-15-13(19)11-3-1-2-4-12(11)18/h1-8,17-18H,(H,15,19)(H,16,20).
What are the key properties of 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide?
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide has a molecular weight of 288.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide is sourced from PubChem (CID 135992560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).