cyclohexene;methyl N-methylethanimidothioate

C10H19NS — CID 142009885

IUPACcyclohexene;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C1=CCCCC1
InChIInChI=1S/C6H10.C4H9NS/c1-2-4-6-5-3-1;1-4(5-2)6-3/h1-2H,3-6H2;1-3H3/b;5-4+
InChIKeyGBSAKHDELHRKOL-RCKHEGBHSA-N
MW185.34 g/mol
LogP3.51
Rot. Bonds

About cyclohexene;methyl N-methylethanimidothioate

cyclohexene;methyl N-methylethanimidothioate (PubChem CID 142009885) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is cyclohexene;methyl N-methylethanimidothioate.

Molecular Properties

Compound Namecyclohexene;methyl N-methylethanimidothioate
PubChem CID142009885
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Namecyclohexene;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C1=CCCCC1
InChIInChI=1S/C6H10.C4H9NS/c1-2-4-6-5-3-1;1-4(5-2)6-3/h1-2H,3-6H2;1-3H3/b;5-4+
InChIKeyGBSAKHDELHRKOL-RCKHEGBHSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohexene;methyl N-methylethanimidothioate 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 cyclohexene;methyl N-methylethanimidothioate?
The IUPAC name of cyclohexene;methyl N-methylethanimidothioate (CID 142009885) is cyclohexene;methyl N-methylethanimidothioate.
What is the SMILES notation for cyclohexene;methyl N-methylethanimidothioate?
The canonical SMILES for cyclohexene;methyl N-methylethanimidothioate is C/N=C(\C)SC.C1=CCCCC1.
What is the InChIKey of cyclohexene;methyl N-methylethanimidothioate?
The InChIKey is GBSAKHDELHRKOL-RCKHEGBHSA-N. The full InChI is InChI=1S/C6H10.C4H9NS/c1-2-4-6-5-3-1;1-4(5-2)6-3/h1-2H,3-6H2;1-3H3/b;5-4+.
What are the key properties of cyclohexene;methyl N-methylethanimidothioate?
cyclohexene;methyl N-methylethanimidothioate has a molecular weight of 185.34 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;methyl N-methylethanimidothioate is sourced from PubChem (CID 142009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).