ethane;N-ethenylprop-2-enethioamide

C7H13NS — CID 156639581

IUPACethane;N-ethenylprop-2-enethioamide
SMILESC=CNC(=S)C=C.CC
InChIInChI=1S/C5H7NS.C2H6/c1-3-5(7)6-4-2;1-2/h3-4H,1-2H2,(H,6,7);1-2H3
InChIKeyXFGIUHZNQHYOSL-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.26
Rot. Bonds2

About ethane;N-ethenylprop-2-enethioamide

ethane;N-ethenylprop-2-enethioamide (PubChem CID 156639581) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is ethane;N-ethenylprop-2-enethioamide.

Molecular Properties

Compound Nameethane;N-ethenylprop-2-enethioamide
PubChem CID156639581
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Nameethane;N-ethenylprop-2-enethioamide
SMILESC=CNC(=S)C=C.CC
InChIInChI=1S/C5H7NS.C2H6/c1-3-5(7)6-4-2;1-2/h3-4H,1-2H2,(H,6,7);1-2H3
InChIKeyXFGIUHZNQHYOSL-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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ethane;(3E)-N-ethenyl-2-methylhexa-1,3,5-trien-3-amine
CID 143665734
1-N,1-N'-bis(ethenyl)ethane-1,1-diamine;ethane
CID 143425316
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N,N-dimethylmethanamine;ethenylcarbamic acid
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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylprop-2-enethioamide?
The IUPAC name of ethane;N-ethenylprop-2-enethioamide (CID 156639581) is ethane;N-ethenylprop-2-enethioamide.
What is the SMILES notation for ethane;N-ethenylprop-2-enethioamide?
The canonical SMILES for ethane;N-ethenylprop-2-enethioamide is C=CNC(=S)C=C.CC.
What is the InChIKey of ethane;N-ethenylprop-2-enethioamide?
The InChIKey is XFGIUHZNQHYOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H6/c1-3-5(7)6-4-2;1-2/h3-4H,1-2H2,(H,6,7);1-2H3.
What are the key properties of ethane;N-ethenylprop-2-enethioamide?
ethane;N-ethenylprop-2-enethioamide has a molecular weight of 143.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylprop-2-enethioamide is sourced from PubChem (CID 156639581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).