ethane;methyl N-ethenylethanimidothioate

C7H15NS — CID 142064441

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

About ethane;methyl N-ethenylethanimidothioate

ethane;methyl N-ethenylethanimidothioate (PubChem CID 142064441) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is ethane;methyl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameethane;methyl N-ethenylethanimidothioate
PubChem CID142064441
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Nameethane;methyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC.CC
InChIInChI=1S/C5H9NS.C2H6/c1-4-6-5(2)7-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+;
InChIKeyCUQGJZJXDDOPCC-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

3-ethylsulfanyl-2H-1,4-thiazine
CID 21433842
1,1,2-Trimethyl-1,3-thiazole
CID 57478709
(N-ethenyl-C-methylcarbonimidoyl) N-ethenylethanimidothioate
CID 88041703
methyl N-ethenylethanimidothioate
CID 88273374
N-[(Z)-2-methylsulfanylethenyl]ethanimine
CID 88575130
ethyl N-ethenylmethanimidothioate
CID 88935172
methyl N-ethenyl-2-(N-ethenyl-C-methylcarbonimidoyl)sulfanylethanimidothioate
CID 89822333
N-(2-methylsulfanylethenyl)ethanimine
CID 91280172
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

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-ethenylethanimidothioate?
The IUPAC name of ethane;methyl N-ethenylethanimidothioate (CID 142064441) 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.
What is the InChIKey of ethane;methyl N-ethenylethanimidothioate?
The InChIKey is CUQGJZJXDDOPCC-IPZCTEOASA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-4-6-5(2)7-3;1-2/h4H,1H2,2-3H3;1-2H3/b6-5+;.
What are the key properties of ethane;methyl N-ethenylethanimidothioate?
ethane;methyl N-ethenylethanimidothioate 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;methyl N-ethenylethanimidothioate is sourced from PubChem (CID 142064441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).