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

C18H29N3OS — CID 6242832

IUPAC[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
SMILESCCCCCCCCCOc1ccc(/C(C)=N\NC(N)=S)cc1
InChIInChI=1S/C18H29N3OS/c1-3-4-5-6-7-8-9-14-22-17-12-10-16(11-13-17)15(2)20-21-18(19)23/h10-13H,3-9,14H2,1-2H3,(H3,19,21,23)/b20-15-
InChIKeyRIPRNAROYJVUMZ-HKWRFOASSA-N
MW335.52 g/mol
LogP4.37
Rot. Bonds11

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

[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea (PubChem CID 6242832) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
PubChem CID6242832
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
SMILESCCCCCCCCCOc1ccc(/C(C)=N\NC(N)=S)cc1
InChIInChI=1S/C18H29N3OS/c1-3-4-5-6-7-8-9-14-22-17-12-10-16(11-13-17)15(2)20-21-18(19)23/h10-13H,3-9,14H2,1-2H3,(H3,19,21,23)/b20-15-
InChIKeyRIPRNAROYJVUMZ-HKWRFOASSA-N
XLogP4.37
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

[1-(4-propoxyphenyl)ethylideneamino]thiourea
CID 4529421
N'-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]oxamide
CID 9120798
[(E)-1-(4-pentoxyphenyl)propan-2-ylideneamino]thiourea
CID 118729935
2-[1-(4-decoxyphenyl)ethylideneamino]guanidine;hydrochloride
CID 131880282
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
[1-(4-ethylphenyl)ethylideneamino]thiourea
CID 3004060
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
N-[1-(4-butoxyphenyl)ethylidene]hydroxylamine
CID 74865969
4-(3-pentoxypropoxy)benzenecarbothioamide
CID 43291486
1-octoxy-4-[1,2,2-tris(4-octoxyphenyl)ethenyl]benzene
CID 177402609

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea?
The IUPAC name of [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea (CID 6242832) is [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea is CCCCCCCCCOc1ccc(/C(C)=N\NC(N)=S)cc1.
What is the InChIKey of [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea?
The InChIKey is RIPRNAROYJVUMZ-HKWRFOASSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-3-4-5-6-7-8-9-14-22-17-12-10-16(11-13-17)15(2)20-21-18(19)23/h10-13H,3-9,14H2,1-2H3,(H3,19,21,23)/b20-15-.
What are the key properties of [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea?
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea has a molecular weight of 335.52 g/mol, XLogP of 4.37, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea is sourced from PubChem (CID 6242832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).