cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate

C19H18FNS2 — CID 58579786

IUPACcyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
SMILESFc1ccc(SC=C/C(=N/c2ccccc2)SCC2CC2)cc1
InChIInChI=1S/C19H18FNS2/c20-16-8-10-18(11-9-16)22-13-12-19(23-14-15-6-7-15)21-17-4-2-1-3-5-17/h1-5,8-13,15H,6-7,14H2/b13-12?,21-19-
InChIKeyLGGOFPDMOFDEHB-BVXSFJPKSA-N
MW343.49 g/mol
LogP6.30
Rot. Bonds6

About cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate

cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate (PubChem CID 58579786) has the molecular formula C19H18FNS2 and a molecular weight of 343.49 g/mol. Its IUPAC name is cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate.

Molecular Properties

Compound Namecyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
PubChem CID58579786
Molecular FormulaC19H18FNS2
Molecular Weight343.49 g/mol
Exact Mass343.09
IUPAC Namecyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
SMILESFc1ccc(SC=C/C(=N/c2ccccc2)SCC2CC2)cc1
InChIInChI=1S/C19H18FNS2/c20-16-8-10-18(11-9-16)22-13-12-19(23-14-15-6-7-15)21-17-4-2-1-3-5-17/h1-5,8-13,15H,6-7,14H2/b13-12?,21-19-
InChIKeyLGGOFPDMOFDEHB-BVXSFJPKSA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate?
The IUPAC name of cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate (CID 58579786) is cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate.
What is the SMILES notation for cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate?
The canonical SMILES for cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate is Fc1ccc(SC=C/C(=N/c2ccccc2)SCC2CC2)cc1.
What is the InChIKey of cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate?
The InChIKey is LGGOFPDMOFDEHB-BVXSFJPKSA-N. The full InChI is InChI=1S/C19H18FNS2/c20-16-8-10-18(11-9-16)22-13-12-19(23-14-15-6-7-15)21-17-4-2-1-3-5-17/h1-5,8-13,15H,6-7,14H2/b13-12?,21-19-.
What are the key properties of cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate?
cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate has a molecular weight of 343.49 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate is sourced from PubChem (CID 58579786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).