[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

C10H11N3S — CID 7245310

IUPAC[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4+,12-8+
InChIKeySHUQFXIRXYXNOZ-HCFISPQYSA-N
MW205.29 g/mol
LogP1.52
Rot. Bonds3

About [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea

[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea (PubChem CID 7245310) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
PubChem CID7245310
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C/C=C/c1ccccc1
InChIInChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4+,12-8+
InChIKeySHUQFXIRXYXNOZ-HCFISPQYSA-N
XLogP1.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The IUPAC name of [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea (CID 7245310) is [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The canonical SMILES for [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is NC(=S)N/N=C/C=C/c1ccccc1.
What is the InChIKey of [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
The InChIKey is SHUQFXIRXYXNOZ-HCFISPQYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4+,12-8+.
What are the key properties of [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea?
[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea has a molecular weight of 205.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea is sourced from PubChem (CID 7245310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).