methyl N-but-1-en-2-ylethanimidothioate

C7H13NS — CID 143478975

IUPACmethyl N-but-1-en-2-ylethanimidothioate
SMILESC=C(CC)/N=C(\C)SC
InChIInChI=1S/C7H13NS/c1-5-6(2)8-7(3)9-4/h2,5H2,1,3-4H3/b8-7+
InChIKeyFULHIMZDCBDJKI-BQYQJAHWSA-N
MW143.25 g/mol
LogP2.69
Rot. Bonds2

About methyl N-but-1-en-2-ylethanimidothioate

methyl N-but-1-en-2-ylethanimidothioate (PubChem CID 143478975) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is methyl N-but-1-en-2-ylethanimidothioate.

Molecular Properties

Compound Namemethyl N-but-1-en-2-ylethanimidothioate
PubChem CID143478975
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Namemethyl N-but-1-en-2-ylethanimidothioate
SMILESC=C(CC)/N=C(\C)SC
InChIInChI=1S/C7H13NS/c1-5-6(2)8-7(3)9-4/h2,5H2,1,3-4H3/b8-7+
InChIKeyFULHIMZDCBDJKI-BQYQJAHWSA-N
XLogP2.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.69
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

2,5,5-Trimethyl-4-methylidene-1,3-thiazole
CID 57792314
methyl N-[(Z)-but-2-en-2-yl]ethanimidothioate
CID 88997219
methyl N-(3-methylbut-1-en-2-yl)ethanimidothioate
CID 89034181
methyl N-prop-1-en-2-ylethanimidothioate
CID 89049845
2,5-Dimethyl-4-methylidene-1,3-thiazol-5-ide
CID 91444485
Ethane;2-methyl-4-methylidene-1,3-thiazole
CID 123577981
ethyl N-prop-1-en-2-ylethanimidothioate
CID 138528238
ethenyl N-but-1-en-2-ylethanimidothioate
CID 143185980
ethane;methyl N-but-1-en-2-ylethanimidothioate
CID 143478974
methyl N-prop-1-en-2-ylprop-2-enimidothioate
CID 143507669
1-Ethyl-2,4-dimethyl-1,3-thiazol-1-ium
CID 172721207

Frequently Asked Questions

What is the IUPAC name of methyl N-but-1-en-2-ylethanimidothioate?
The IUPAC name of methyl N-but-1-en-2-ylethanimidothioate (CID 143478975) is methyl N-but-1-en-2-ylethanimidothioate.
What is the SMILES notation for methyl N-but-1-en-2-ylethanimidothioate?
The canonical SMILES for methyl N-but-1-en-2-ylethanimidothioate is C=C(CC)/N=C(\C)SC.
What is the InChIKey of methyl N-but-1-en-2-ylethanimidothioate?
The InChIKey is FULHIMZDCBDJKI-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-6(2)8-7(3)9-4/h2,5H2,1,3-4H3/b8-7+.
What are the key properties of methyl N-but-1-en-2-ylethanimidothioate?
methyl N-but-1-en-2-ylethanimidothioate has a molecular weight of 143.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-but-1-en-2-ylethanimidothioate is sourced from PubChem (CID 143478975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).