(E)-pent-3-enethioamide

C5H9NS — CID 15307430

IUPAC(E)-pent-3-enethioamide
SMILESC/C=C/CC(N)=S
InChIInChI=1S/C5H9NS/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H2,6,7)/b3-2+
InChIKeyVHGJTBXIGLAUSJ-NSCUHMNNSA-N
MW115.20 g/mol
LogP1.24
Rot. Bonds2

About (E)-pent-3-enethioamide

(E)-pent-3-enethioamide (PubChem CID 15307430) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (E)-pent-3-enethioamide.

Molecular Properties

Compound Name(E)-pent-3-enethioamide
PubChem CID15307430
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(E)-pent-3-enethioamide
SMILESC/C=C/CC(N)=S
InChIInChI=1S/C5H9NS/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H2,6,7)/b3-2+
InChIKeyVHGJTBXIGLAUSJ-NSCUHMNNSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-pent-3-enethioamide?
The IUPAC name of (E)-pent-3-enethioamide (CID 15307430) is (E)-pent-3-enethioamide.
What is the SMILES notation for (E)-pent-3-enethioamide?
The canonical SMILES for (E)-pent-3-enethioamide is C/C=C/CC(N)=S.
What is the InChIKey of (E)-pent-3-enethioamide?
The InChIKey is VHGJTBXIGLAUSJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NS/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H2,6,7)/b3-2+.
What are the key properties of (E)-pent-3-enethioamide?
(E)-pent-3-enethioamide has a molecular weight of 115.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-3-enethioamide is sourced from PubChem (CID 15307430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).