(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide

C4H6FNOS2 — CID 146637522

IUPAC(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide
SMILESCS(=S)NC(=O)/C=C/F
InChIInChI=1S/C4H6FNOS2/c1-9(8)6-4(7)2-3-5/h2-3H,1H3,(H,6,7)/b3-2+
InChIKeyNDPZDWCKZMXHFX-NSCUHMNNSA-N
MW167.23 g/mol
LogP0.21
Rot. Bonds2

About (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide

(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide (PubChem CID 146637522) has the molecular formula C4H6FNOS2 and a molecular weight of 167.23 g/mol. Its IUPAC name is (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide
PubChem CID146637522
Molecular FormulaC4H6FNOS2
Molecular Weight167.23 g/mol
Exact Mass166.99
IUPAC Name(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide
SMILESCS(=S)NC(=O)/C=C/F
InChIInChI=1S/C4H6FNOS2/c1-9(8)6-4(7)2-3-5/h2-3H,1H3,(H,6,7)/b3-2+
InChIKeyNDPZDWCKZMXHFX-NSCUHMNNSA-N
XLogP0.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide?
The IUPAC name of (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide (CID 146637522) is (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide.
What is the SMILES notation for (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide?
The canonical SMILES for (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide is CS(=S)NC(=O)/C=C/F.
What is the InChIKey of (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide?
The InChIKey is NDPZDWCKZMXHFX-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H6FNOS2/c1-9(8)6-4(7)2-3-5/h2-3H,1H3,(H,6,7)/b3-2+.
What are the key properties of (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide?
(E)-3-fluoro-N-methylsulfinothioylprop-2-enamide has a molecular weight of 167.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methylsulfinothioylprop-2-enamide is sourced from PubChem (CID 146637522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).