N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide

C14H12N2OS — CID 135442199

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide
SMILESOc1ccccc1/C=N/NC(=S)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11/h1-10,17H,(H,16,18)/b15-10+
InChIKeyVXZUUYKZNSQUOU-XNTDXEJSSA-N
MW256.33 g/mol
LogP2.69
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide (PubChem CID 135442199) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide
PubChem CID135442199
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide
SMILESOc1ccccc1/C=N/NC(=S)c1ccccc1
InChIInChI=1S/C14H12N2OS/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11/h1-10,17H,(H,16,18)/b15-10+
InChIKeyVXZUUYKZNSQUOU-XNTDXEJSSA-N
XLogP2.69
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
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'}

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Related Compounds

Salicylaldehyde Thiosemicarbazone
CID 135423926
Salicylaldehyde phenylhydrazone
CID 135401296
2-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
CID 2860190
N'-(2-hydroxybenzylidene)-N-methylbenzenecarbothiohydrazide
CID 135446725
Norletimol
CID 71643
Bissalicylidene thiocarbohydrazide
CID 3446799
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
CID 135460538
4-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenol
CID 577855
4-[(E)-[[3-(trifluoromethyl)phenyl]methylhydrazinylidene]methyl]phenol
CID 137289962
2-[(3-Mercapto-5-phenyl-[1,2,4]triazol-4-ylimino)-methyl]-phenol
CID 135470822
Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CID 135545742
2-Hydroxybenzaldehyde thiosemicarbazone
CID 727917

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide (CID 135442199) is N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide is Oc1ccccc1/C=N/NC(=S)c1ccccc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide?
The InChIKey is VXZUUYKZNSQUOU-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11/h1-10,17H,(H,16,18)/b15-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide has a molecular weight of 256.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]benzenecarbothioamide is sourced from PubChem (CID 135442199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).