[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate

C10H19NS — CID 155062369

IUPAC[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate
SMILESCC/C=C(/C)S/C(=N/C)C(C)C
InChIInChI=1S/C10H19NS/c1-6-7-9(4)12-10(11-5)8(2)3/h7-8H,6H2,1-5H3/b9-7-,11-10+
InChIKeyKJNVWWXMVBPDDK-NKTIYDDZSA-N
MW185.34 g/mol
LogP3.72
Rot. Bonds3

About [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate

[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate (PubChem CID 155062369) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate.

Molecular Properties

Compound Name[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate
PubChem CID155062369
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate
SMILESCC/C=C(/C)S/C(=N/C)C(C)C
InChIInChI=1S/C10H19NS/c1-6-7-9(4)12-10(11-5)8(2)3/h7-8H,6H2,1-5H3/b9-7-,11-10+
InChIKeyKJNVWWXMVBPDDK-NKTIYDDZSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate 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 [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate?
The IUPAC name of [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate (CID 155062369) is [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate.
What is the SMILES notation for [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate?
The canonical SMILES for [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate is CC/C=C(/C)S/C(=N/C)C(C)C.
What is the InChIKey of [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate?
The InChIKey is KJNVWWXMVBPDDK-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-7-9(4)12-10(11-5)8(2)3/h7-8H,6H2,1-5H3/b9-7-,11-10+.
What are the key properties of [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate?
[(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate has a molecular weight of 185.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-en-2-yl] N,2-dimethylpropanimidothioate is sourced from PubChem (CID 155062369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).