(E)-N-[(Z)-but-2-enyl]but-2-enethioamide

C8H13NS — CID 143335400

IUPAC(E)-N-[(Z)-but-2-enyl]but-2-enethioamide
SMILESC/C=C\CNC(=S)/C=C/C
InChIInChI=1S/C8H13NS/c1-3-5-7-9-8(10)6-4-2/h3-6H,7H2,1-2H3,(H,9,10)/b5-3-,6-4+
InChIKeyFFYWYCXWWPSXNZ-CIIODKQPSA-N
MW155.27 g/mol
LogP2.06
Rot. Bonds3

About (E)-N-[(Z)-but-2-enyl]but-2-enethioamide

(E)-N-[(Z)-but-2-enyl]but-2-enethioamide (PubChem CID 143335400) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (E)-N-[(Z)-but-2-enyl]but-2-enethioamide.

Molecular Properties

Compound Name(E)-N-[(Z)-but-2-enyl]but-2-enethioamide
PubChem CID143335400
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(E)-N-[(Z)-but-2-enyl]but-2-enethioamide
SMILESC/C=C\CNC(=S)/C=C/C
InChIInChI=1S/C8H13NS/c1-3-5-7-9-8(10)6-4-2/h3-6H,7H2,1-2H3,(H,9,10)/b5-3-,6-4+
InChIKeyFFYWYCXWWPSXNZ-CIIODKQPSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-but-2-enyl]but-2-enethioamide?
The IUPAC name of (E)-N-[(Z)-but-2-enyl]but-2-enethioamide (CID 143335400) is (E)-N-[(Z)-but-2-enyl]but-2-enethioamide.
What is the SMILES notation for (E)-N-[(Z)-but-2-enyl]but-2-enethioamide?
The canonical SMILES for (E)-N-[(Z)-but-2-enyl]but-2-enethioamide is C/C=C\CNC(=S)/C=C/C.
What is the InChIKey of (E)-N-[(Z)-but-2-enyl]but-2-enethioamide?
The InChIKey is FFYWYCXWWPSXNZ-CIIODKQPSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-5-7-9-8(10)6-4-2/h3-6H,7H2,1-2H3,(H,9,10)/b5-3-,6-4+.
What are the key properties of (E)-N-[(Z)-but-2-enyl]but-2-enethioamide?
(E)-N-[(Z)-but-2-enyl]but-2-enethioamide has a molecular weight of 155.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-but-2-enyl]but-2-enethioamide is sourced from PubChem (CID 143335400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).