[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea

C12H17N3S — CID 121010367

IUPAC[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
SMILESCC/C(=N/NC(N)=S)c1ccccc1CC
InChIInChI=1S/C12H17N3S/c1-3-9-7-5-6-8-10(9)11(4-2)14-15-12(13)16/h5-8H,3-4H2,1-2H3,(H3,13,15,16)/b14-11-
InChIKeyDLOXKDGBLCWXGP-KAMYIIQDSA-N
MW235.36 g/mol
LogP2.20
Rot. Bonds4

About [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea

[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea (PubChem CID 121010367) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
PubChem CID121010367
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
SMILESCC/C(=N/NC(N)=S)c1ccccc1CC
InChIInChI=1S/C12H17N3S/c1-3-9-7-5-6-8-10(9)11(4-2)14-15-12(13)16/h5-8H,3-4H2,1-2H3,(H3,13,15,16)/b14-11-
InChIKeyDLOXKDGBLCWXGP-KAMYIIQDSA-N
XLogP2.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.20
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

[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183
[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[(E)-1-(3-aminophenyl)propylideneamino]thiourea
CID 25234550
N'-amino-2-ethylbenzenecarboximidamide
CID 54190034
N-[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-methylpropanamide
CID 54332763
[1-(2-methylphenyl)ethylideneamino]thiourea
CID 76872325
2-ethylbenzenecarbothioyl chloride
CID 23333077
[(E)-1-(1,3-dioxoinden-2-yl)propylideneamino]thiourea
CID 139216777
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555
[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
CID 5359914
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea?
The IUPAC name of [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea (CID 121010367) is [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea.
What is the SMILES notation for [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea?
The canonical SMILES for [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea is CC/C(=N/NC(N)=S)c1ccccc1CC.
What is the InChIKey of [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea?
The InChIKey is DLOXKDGBLCWXGP-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-9-7-5-6-8-10(9)11(4-2)14-15-12(13)16/h5-8H,3-4H2,1-2H3,(H3,13,15,16)/b14-11-.
What are the key properties of [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea?
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea has a molecular weight of 235.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-ethylphenyl)propylideneamino]thiourea is sourced from PubChem (CID 121010367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).