ethane;ethene;methyl N-methylethanimidothioate

C8H19NS — CID 142889256

IUPACethane;ethene;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C=C.CC
InChIInChI=1S/C4H9NS.C2H6.C2H4/c1-4(5-2)6-3;2*1-2/h1-3H3;1-2H3;1-2H2/b5-4+;;
InChIKeyUUDXKFPTSOMLGV-SFKRKKMESA-N
MW161.31 g/mol
LogP3.23
Rot. Bonds

About ethane;ethene;methyl N-methylethanimidothioate

ethane;ethene;methyl N-methylethanimidothioate (PubChem CID 142889256) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is ethane;ethene;methyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethane;ethene;methyl N-methylethanimidothioate
PubChem CID142889256
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nameethane;ethene;methyl N-methylethanimidothioate
SMILESC/N=C(\C)SC.C=C.CC
InChIInChI=1S/C4H9NS.C2H6.C2H4/c1-4(5-2)6-3;2*1-2/h1-3H3;1-2H3;1-2H2/b5-4+;;
InChIKeyUUDXKFPTSOMLGV-SFKRKKMESA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;methyl N-methylethanimidothioate?
The IUPAC name of ethane;ethene;methyl N-methylethanimidothioate (CID 142889256) is ethane;ethene;methyl N-methylethanimidothioate.
What is the SMILES notation for ethane;ethene;methyl N-methylethanimidothioate?
The canonical SMILES for ethane;ethene;methyl N-methylethanimidothioate is C/N=C(\C)SC.C=C.CC.
What is the InChIKey of ethane;ethene;methyl N-methylethanimidothioate?
The InChIKey is UUDXKFPTSOMLGV-SFKRKKMESA-N. The full InChI is InChI=1S/C4H9NS.C2H6.C2H4/c1-4(5-2)6-3;2*1-2/h1-3H3;1-2H3;1-2H2/b5-4+;;.
What are the key properties of ethane;ethene;methyl N-methylethanimidothioate?
ethane;ethene;methyl N-methylethanimidothioate has a molecular weight of 161.31 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methyl N-methylethanimidothioate is sourced from PubChem (CID 142889256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).