[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea

C9H10IN3S — CID 103600904

IUPAC[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(I)cc1
InChIInChI=1S/C9H10IN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
InChIKeyASONLCJHWLQODD-SDQBBNPISA-N
MW319.17 g/mol
LogP1.85
Rot. Bonds2

About [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea

[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea (PubChem CID 103600904) has the molecular formula C9H10IN3S and a molecular weight of 319.17 g/mol. Its IUPAC name is [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
PubChem CID103600904
Molecular FormulaC9H10IN3S
Molecular Weight319.17 g/mol
Exact Mass318.96
IUPAC Name[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
SMILESC/C(=N/NC(N)=S)c1ccc(I)cc1
InChIInChI=1S/C9H10IN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-
InChIKeyASONLCJHWLQODD-SDQBBNPISA-N
XLogP1.85
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
(2Z)-2-(carbamothioylhydrazinylidene)-N-(4-iodophenyl)propanethioamide
CID 50742046
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
[(Z)-1-(3,5-dihydroxyphenyl)ethylideneamino]thiourea
CID 23024423

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea (CID 103600904) is [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea is C/C(=N/NC(N)=S)c1ccc(I)cc1.
What is the InChIKey of [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea?
The InChIKey is ASONLCJHWLQODD-SDQBBNPISA-N. The full InChI is InChI=1S/C9H10IN3S/c1-6(12-13-9(11)14)7-2-4-8(10)5-3-7/h2-5H,1H3,(H3,11,13,14)/b12-6-.
What are the key properties of [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea?
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea has a molecular weight of 319.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-iodophenyl)ethylideneamino]thiourea is sourced from PubChem (CID 103600904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).