1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

C8H10N4OS — CID 135646935

IUPAC1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C8H10N4OS/c9-11-8(14)12-10-5-6-3-1-2-4-7(6)13/h1-5,13H,9H2,(H2,11,12,14)/b10-5+
InChIKeyLRSQWVZCUZSCNC-BJMVGYQFSA-N
MW210.26 g/mol
LogP0.06
Rot. Bonds2

About 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea

1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (PubChem CID 135646935) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
PubChem CID135646935
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
SMILESNNC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C8H10N4OS/c9-11-8(14)12-10-5-6-3-1-2-4-7(6)13/h1-5,13H,9H2,(H2,11,12,14)/b10-5+
InChIKeyLRSQWVZCUZSCNC-BJMVGYQFSA-N
XLogP0.06
TPSA82.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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
2,4-Dihydroxybenzaldehyde thiosemicarbazone
CID 135480747
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
4-Hydroxybenzaldehyde thiosemicarbazone
CID 135408731
[[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
CID 135455078
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone
CID 135409268
[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]thiourea
CID 135488445
[[(E)-[5-[(carbamothioylhydrazinylidene)methyl]-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]amino]thiourea
CID 135549494
Salicylaldehyde hydrazone
CID 135484217
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The IUPAC name of 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea (CID 135646935) is 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is NNC(=S)N/N=C/c1ccccc1O.
What is the InChIKey of 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
The InChIKey is LRSQWVZCUZSCNC-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-11-8(14)12-10-5-6-3-1-2-4-7(6)13/h1-5,13H,9H2,(H2,11,12,14)/b10-5+.
What are the key properties of 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea?
1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea has a molecular weight of 210.26 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 135646935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).