ethane;methyl N-ethenylethanimidothioate

C11H27NS — CID 143711281

IUPACethane;methyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC.CC.CC.CC
InChIInChI=1S/C5H9NS.3C2H6/c1-4-6-5(2)7-3;3*1-2/h4H,1H2,2-3H3;3*1-2H3/b6-5+;;;
InChIKeyWFMBGZHPZFWQHE-FWMLTEASSA-N
MW205.41 g/mol
LogP4.99
Rot. Bonds1

About ethane;methyl N-ethenylethanimidothioate

ethane;methyl N-ethenylethanimidothioate (PubChem CID 143711281) has the molecular formula C11H27NS and a molecular weight of 205.41 g/mol. Its IUPAC name is ethane;methyl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameethane;methyl N-ethenylethanimidothioate
PubChem CID143711281
Molecular FormulaC11H27NS
Molecular Weight205.41 g/mol
Exact Mass205.19
IUPAC Nameethane;methyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC.CC.CC.CC
InChIInChI=1S/C5H9NS.3C2H6/c1-4-6-5(2)7-3;3*1-2/h4H,1H2,2-3H3;3*1-2H3/b6-5+;;;
InChIKeyWFMBGZHPZFWQHE-FWMLTEASSA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.41
LogP ≤ 54.99
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 ethane;methyl N-ethenylethanimidothioate with MolForge

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

Launch Full Analysis

Related Compounds

1,1,2-Trimethyl-1,3-thiazole
CID 57478709
(N-ethenyl-C-methylcarbonimidoyl) N-ethenylethanimidothioate
CID 88041703
methyl N-ethenylethanimidothioate
CID 88273374
methyl N-ethenyl-2-(N-ethenyl-C-methylcarbonimidoyl)sulfanylethanimidothioate
CID 89822333
1,2-Dimethyl-1,3-thiazol-1-ium
CID 91350460
ethyl N-ethenylethanimidothioate
CID 91438940
methyl N-ethenylpropanimidothioate
CID 123143732
ethenyl N-ethenylethanimidothioate
CID 123242748
ethane;methyl N-ethenylethanimidothioate
CID 142064441
ethane;ethenyl N-methylethanimidothioate
CID 142853916
ethane;ethene;methyl N-methylethanimidothioate
CID 142889256
ethane;ethene;methyl N-ethenylmethanimidothioate
CID 143375318

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-ethenylethanimidothioate?
The IUPAC name of ethane;methyl N-ethenylethanimidothioate (CID 143711281) is ethane;methyl N-ethenylethanimidothioate.
What is the SMILES notation for ethane;methyl N-ethenylethanimidothioate?
The canonical SMILES for ethane;methyl N-ethenylethanimidothioate is C=C/N=C(\C)SC.CC.CC.CC.
What is the InChIKey of ethane;methyl N-ethenylethanimidothioate?
The InChIKey is WFMBGZHPZFWQHE-FWMLTEASSA-N. The full InChI is InChI=1S/C5H9NS.3C2H6/c1-4-6-5(2)7-3;3*1-2/h4H,1H2,2-3H3;3*1-2H3/b6-5+;;;.
What are the key properties of ethane;methyl N-ethenylethanimidothioate?
ethane;methyl N-ethenylethanimidothioate has a molecular weight of 205.41 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-ethenylethanimidothioate is sourced from PubChem (CID 143711281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).