[1-(4-ethylphenyl)ethylideneamino]thiourea

C11H15N3S — CID 3004060

IUPAC[1-(4-ethylphenyl)ethylideneamino]thiourea
SMILESCCc1ccc(C(C)=NNC(N)=S)cc1
InChIInChI=1S/C11H15N3S/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15/h4-7H,3H2,1-2H3,(H3,12,14,15)
InChIKeyHXMZCORQSLXYAF-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.81
Rot. Bonds3

About [1-(4-ethylphenyl)ethylideneamino]thiourea

[1-(4-ethylphenyl)ethylideneamino]thiourea (PubChem CID 3004060) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is [1-(4-ethylphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[1-(4-ethylphenyl)ethylideneamino]thiourea
PubChem CID3004060
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name[1-(4-ethylphenyl)ethylideneamino]thiourea
SMILESCCc1ccc(C(C)=NNC(N)=S)cc1
InChIInChI=1S/C11H15N3S/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15/h4-7H,3H2,1-2H3,(H3,12,14,15)
InChIKeyHXMZCORQSLXYAF-UHFFFAOYSA-N
XLogP1.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
[(Z)-1-(4-iodophenyl)ethylideneamino]thiourea
CID 103600904
(1-phenylethylideneamino)thiourea
CID 912962
[(Z)-1-(4-phenylphenyl)ethylideneamino]thiourea
CID 5392292
[(E)-[cyclopropyl-(4-ethylphenyl)methylidene]amino]thiourea
CID 5464742
[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
N,N'-bis[1-(4-ethylphenyl)ethylideneamino]hexanediamide
CID 3720428
[(E)-1-(4-anilinophenyl)ethylideneamino]thiourea
CID 11737693
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)ethylideneamino]thiourea?
The IUPAC name of [1-(4-ethylphenyl)ethylideneamino]thiourea (CID 3004060) is [1-(4-ethylphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [1-(4-ethylphenyl)ethylideneamino]thiourea?
The canonical SMILES for [1-(4-ethylphenyl)ethylideneamino]thiourea is CCc1ccc(C(C)=NNC(N)=S)cc1.
What is the InChIKey of [1-(4-ethylphenyl)ethylideneamino]thiourea?
The InChIKey is HXMZCORQSLXYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-4-6-10(7-5-9)8(2)13-14-11(12)15/h4-7H,3H2,1-2H3,(H3,12,14,15).
What are the key properties of [1-(4-ethylphenyl)ethylideneamino]thiourea?
[1-(4-ethylphenyl)ethylideneamino]thiourea has a molecular weight of 221.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 3004060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).