butyl thiohypofluorite

C4H9FS — CID 118977569

IUPACbutyl thiohypofluorite
SMILESCCCCSF
InChIInChI=1S/C4H9FS/c1-2-3-4-6-5/h2-4H2,1H3
InChIKeyMQIXOMOPBVMISK-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.40
Rot. Bonds3

About butyl thiohypofluorite

butyl thiohypofluorite (PubChem CID 118977569) has the molecular formula C4H9FS and a molecular weight of 108.18 g/mol. Its IUPAC name is butyl thiohypofluorite.

Molecular Properties

Compound Namebutyl thiohypofluorite
PubChem CID118977569
Molecular FormulaC4H9FS
Molecular Weight108.18 g/mol
Exact Mass108.04
IUPAC Namebutyl thiohypofluorite
SMILESCCCCSF
InChIInChI=1S/C4H9FS/c1-2-3-4-6-5/h2-4H2,1H3
InChIKeyMQIXOMOPBVMISK-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n-Butyl mercaptide
CID 193565
Hexyl thiohypofluorite
CID 59067997
Pentyl thiohypofluorite
CID 87665741
Trifluoro(pentyl)-lambda4-sulfane
CID 87899636
CID 89409968
CID 89409968
Butyl-fluoro-sulfanylidene-lambda4-sulfane
CID 90277188
[(2R)-butan-2-yl] thiohypofluorite
CID 122692134
Butan-2-yl(trifluoro)-lambda4-sulfane
CID 137504764
Propyl thiohypofluorite
CID 141780208
Propan-2-yl thiohypofluorite
CID 142291580
Butan-2-yl thiohypofluorite
CID 143749976
Fluoro-dimethyl-propan-2-yl-lambda4-sulfane
CID 146369406

Frequently Asked Questions

What is the IUPAC name of butyl thiohypofluorite?
The IUPAC name of butyl thiohypofluorite (CID 118977569) is butyl thiohypofluorite.
What is the SMILES notation for butyl thiohypofluorite?
The canonical SMILES for butyl thiohypofluorite is CCCCSF.
What is the InChIKey of butyl thiohypofluorite?
The InChIKey is MQIXOMOPBVMISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FS/c1-2-3-4-6-5/h2-4H2,1H3.
What are the key properties of butyl thiohypofluorite?
butyl thiohypofluorite has a molecular weight of 108.18 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl thiohypofluorite is sourced from PubChem (CID 118977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).