CID 89409968

C4H9FPS- — CID 89409968

IUPAC—
SMILESCCCC[S-](F)#P
InChIInChI=1S/C4H9FPS/c1-2-3-4-7(5)6/h2-4H2,1H3/q-1
InChIKeyKRRZZXVYZNEXHY-UHFFFAOYSA-N
MW139.16 g/mol
LogP2.61
Rot. Bonds2

About CID 89409968

CID 89409968 (PubChem CID 89409968) has the molecular formula C4H9FPS- and a molecular weight of 139.16 g/mol.

Molecular Properties

Compound NameCID 89409968
PubChem CID89409968
Molecular FormulaC4H9FPS-
Molecular Weight139.16 g/mol
Exact Mass139.02
IUPAC Name—
SMILESCCCC[S-](F)#P
InChIInChI=1S/C4H9FPS/c1-2-3-4-7(5)6/h2-4H2,1H3/q-1
InChIKeyKRRZZXVYZNEXHY-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

n-Butyl sulfonium fluoride
CID 118977569
Pentyl thiohypofluorite
CID 87665741
CID 89757158
CID 89757158
Butyl-fluoro-sulfanylidene-lambda4-sulfane
CID 90277188
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764
Butan-2-yl thiohypofluorite
CID 143749976
Butyl(trifluoro)-lambda4-sulfane
CID 174136410
Pentan-2-yl thiohypofluorite
CID 144310832
(Butyl-lambda4-sulfanylidyne)phosphane
CID 89604089

Frequently Asked Questions

What is the IUPAC name of CID 89409968?
The IUPAC name of CID 89409968 (CID 89409968) is not available.
What is the SMILES notation for CID 89409968?
The canonical SMILES for CID 89409968 is CCCC[S-](F)#P.
What is the InChIKey of CID 89409968?
The InChIKey is KRRZZXVYZNEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FPS/c1-2-3-4-7(5)6/h2-4H2,1H3/q-1.
What are the key properties of CID 89409968?
CID 89409968 has a molecular weight of 139.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89409968 is sourced from PubChem (CID 89409968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).