[(Z)-1-phenylprop-1-enyl] ethanimidothioate

C11H13NS — CID 118227651

IUPAC[(Z)-1-phenylprop-1-enyl] ethanimidothioate
SMILES[H]/N=C(\C)S/C(=C\C)c1ccccc1
InChIInChI=1S/C11H13NS/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3-8,12H,1-2H3/b11-3-,12-9+
InChIKeyJMDBCDLUJXNBCT-DEUKOJNASA-N
MW191.30 g/mol
LogP3.78
Rot. Bonds2

About [(Z)-1-phenylprop-1-enyl] ethanimidothioate

[(Z)-1-phenylprop-1-enyl] ethanimidothioate (PubChem CID 118227651) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is [(Z)-1-phenylprop-1-enyl] ethanimidothioate.

Molecular Properties

Compound Name[(Z)-1-phenylprop-1-enyl] ethanimidothioate
PubChem CID118227651
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name[(Z)-1-phenylprop-1-enyl] ethanimidothioate
SMILES[H]/N=C(\C)S/C(=C\C)c1ccccc1
InChIInChI=1S/C11H13NS/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3-8,12H,1-2H3/b11-3-,12-9+
InChIKeyJMDBCDLUJXNBCT-DEUKOJNASA-N
XLogP3.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylprop-1-enyl] ethanimidothioate?
The IUPAC name of [(Z)-1-phenylprop-1-enyl] ethanimidothioate (CID 118227651) is [(Z)-1-phenylprop-1-enyl] ethanimidothioate.
What is the SMILES notation for [(Z)-1-phenylprop-1-enyl] ethanimidothioate?
The canonical SMILES for [(Z)-1-phenylprop-1-enyl] ethanimidothioate is [H]/N=C(\C)S/C(=C\C)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylprop-1-enyl] ethanimidothioate?
The InChIKey is JMDBCDLUJXNBCT-DEUKOJNASA-N. The full InChI is InChI=1S/C11H13NS/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h3-8,12H,1-2H3/b11-3-,12-9+.
What are the key properties of [(Z)-1-phenylprop-1-enyl] ethanimidothioate?
[(Z)-1-phenylprop-1-enyl] ethanimidothioate has a molecular weight of 191.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylprop-1-enyl] ethanimidothioate is sourced from PubChem (CID 118227651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).