propyl N-fluorocarbamodithioate

C4H8FNS2 — CID 174631138

IUPACpropyl N-fluorocarbamodithioate
SMILESCCCSC(=S)NF
InChIInChI=1S/C4H8FNS2/c1-2-3-8-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyRDWYDGLWPATGJD-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.89
Rot. Bonds2

About propyl N-fluorocarbamodithioate

propyl N-fluorocarbamodithioate (PubChem CID 174631138) has the molecular formula C4H8FNS2 and a molecular weight of 153.25 g/mol. Its IUPAC name is propyl N-fluorocarbamodithioate.

Molecular Properties

Compound Namepropyl N-fluorocarbamodithioate
PubChem CID174631138
Molecular FormulaC4H8FNS2
Molecular Weight153.25 g/mol
Exact Mass153.01
IUPAC Namepropyl N-fluorocarbamodithioate
SMILESCCCSC(=S)NF
InChIInChI=1S/C4H8FNS2/c1-2-3-8-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyRDWYDGLWPATGJD-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl N-fluorocarbamodithioate?
The IUPAC name of propyl N-fluorocarbamodithioate (CID 174631138) is propyl N-fluorocarbamodithioate.
What is the SMILES notation for propyl N-fluorocarbamodithioate?
The canonical SMILES for propyl N-fluorocarbamodithioate is CCCSC(=S)NF.
What is the InChIKey of propyl N-fluorocarbamodithioate?
The InChIKey is RDWYDGLWPATGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS2/c1-2-3-8-4(7)6-5/h2-3H2,1H3,(H,6,7).
What are the key properties of propyl N-fluorocarbamodithioate?
propyl N-fluorocarbamodithioate has a molecular weight of 153.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-fluorocarbamodithioate is sourced from PubChem (CID 174631138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).