[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea

C10H13N3O3S — CID 136717021

IUPAC[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
SMILESCOc1cc(O)c(/C=N\NC(N)=S)c(OC)c1
InChIInChI=1S/C10H13N3O3S/c1-15-6-3-8(14)7(9(4-6)16-2)5-12-13-10(11)17/h3-5,14H,1-2H3,(H3,11,13,17)/b12-5-
InChIKeyJIGBFXJUFFHHGS-XGICHPGQSA-N
MW255.30 g/mol
LogP0.58
Rot. Bonds4

About [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea

[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea (PubChem CID 136717021) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
PubChem CID136717021
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea
SMILESCOc1cc(O)c(/C=N\NC(N)=S)c(OC)c1
InChIInChI=1S/C10H13N3O3S/c1-15-6-3-8(14)7(9(4-6)16-2)5-12-13-10(11)17/h3-5,14H,1-2H3,(H3,11,13,17)/b12-5-
InChIKeyJIGBFXJUFFHHGS-XGICHPGQSA-N
XLogP0.58
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 5092533
[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]urea
CID 135679545
methyl 2-[(carbamothioylhydrazinylidene)methyl]-3,5-dimethoxybenzoate
CID 168534711
[(2,6-difluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168534216
N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135615813
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
2,6-difluoro-N-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
CID 135455777
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
[(2-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535021
[(E)-(2-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135851173
[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 135804345
[(4-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]thiourea
CID 168535620

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea (CID 136717021) is [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea is COc1cc(O)c(/C=N\NC(N)=S)c(OC)c1.
What is the InChIKey of [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea?
The InChIKey is JIGBFXJUFFHHGS-XGICHPGQSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-15-6-3-8(14)7(9(4-6)16-2)5-12-13-10(11)17/h3-5,14H,1-2H3,(H3,11,13,17)/b12-5-.
What are the key properties of [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea?
[(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea has a molecular weight of 255.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]thiourea is sourced from PubChem (CID 136717021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).