ethane;ethenyl N-methylethanimidothioate

C7H15NS — CID 142889079

IUPACethane;ethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+;
InChIKeyWZLDXYDCGQFSSE-IPZCTEOASA-N
MW145.27 g/mol
LogP2.94
Rot. Bonds1

About ethane;ethenyl N-methylethanimidothioate

ethane;ethenyl N-methylethanimidothioate (PubChem CID 142889079) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethane;ethenyl N-methylethanimidothioate.

Molecular Properties

Compound Nameethane;ethenyl N-methylethanimidothioate
PubChem CID142889079
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;ethenyl N-methylethanimidothioate
SMILESC=CS/C(C)=N/C.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+;
InChIKeyWZLDXYDCGQFSSE-IPZCTEOASA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.94
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'}

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Related Compounds

Methyl (1E)-N-methylethanimidothioate
CID 12894229
2-N,3-N-dimethyl-1,4-dithiine-2,3-diimine
CID 91253009
ethyl N-methylethanimidothioate
CID 59844960
ethenyl N-methylethanimidothioate
CID 88529838
[(E)-prop-1-enyl] N-methylethanimidothioate
CID 89266207
ethenyl N-ethenylethanimidothioate
CID 123242748
2-ethenylsulfanyl-N-methylethanimine
CID 123598447
prop-1-enyl N-methylethanimidothioate
CID 124034581
ethenyl N-methylpropanimidothioate
CID 142207543
ethane;ethenyl N-methylethanimidothioate
CID 142853916
ethane;ethene;methyl N-methylethanimidothioate
CID 142889256
ethane;methyl N-methylethanimidothioate
CID 143539727

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl N-methylethanimidothioate?
The IUPAC name of ethane;ethenyl N-methylethanimidothioate (CID 142889079) is ethane;ethenyl N-methylethanimidothioate.
What is the SMILES notation for ethane;ethenyl N-methylethanimidothioate?
The canonical SMILES for ethane;ethenyl N-methylethanimidothioate is C=CS/C(C)=N/C.CC.
What is the InChIKey of ethane;ethenyl N-methylethanimidothioate?
The InChIKey is WZLDXYDCGQFSSE-IPZCTEOASA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+;.
What are the key properties of ethane;ethenyl N-methylethanimidothioate?
ethane;ethenyl N-methylethanimidothioate has a molecular weight of 145.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl N-methylethanimidothioate is sourced from PubChem (CID 142889079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).