ethyl N-prop-1-en-2-ylethanimidothioate

C7H13NS — CID 138528238

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

About ethyl N-prop-1-en-2-ylethanimidothioate

ethyl N-prop-1-en-2-ylethanimidothioate (PubChem CID 138528238) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethyl N-prop-1-en-2-ylethanimidothioate.

Molecular Properties

Compound Nameethyl N-prop-1-en-2-ylethanimidothioate
PubChem CID138528238
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethyl N-prop-1-en-2-ylethanimidothioate
SMILESC=C(C)/N=C(\C)SCC
InChIInChI=1S/C7H13NS/c1-5-9-7(4)8-6(2)3/h2,5H2,1,3-4H3/b8-7+
InChIKeyHDBOJECBCQFEQW-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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Frequently Asked Questions

What is the IUPAC name of ethyl N-prop-1-en-2-ylethanimidothioate?
The IUPAC name of ethyl N-prop-1-en-2-ylethanimidothioate (CID 138528238) is ethyl N-prop-1-en-2-ylethanimidothioate.
What is the SMILES notation for ethyl N-prop-1-en-2-ylethanimidothioate?
The canonical SMILES for ethyl N-prop-1-en-2-ylethanimidothioate is C=C(C)/N=C(\C)SCC.
What is the InChIKey of ethyl N-prop-1-en-2-ylethanimidothioate?
The InChIKey is HDBOJECBCQFEQW-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-9-7(4)8-6(2)3/h2,5H2,1,3-4H3/b8-7+.
What are the key properties of ethyl N-prop-1-en-2-ylethanimidothioate?
ethyl N-prop-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 ethyl N-prop-1-en-2-ylethanimidothioate is sourced from PubChem (CID 138528238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).