3-(18F)fluoropropane-1-thiol

C3H7FS — CID 58654594

IUPAC3-(18F)fluoropropane-1-thiol
SMILES[18F]CCCS
InChIInChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2/i4-1
InChIKeyRXUKMWGETCFZCU-NUTRPMROSA-N
MW93.16 g/mol
LogP1.28
Rot. Bonds2

About 3-(18F)fluoropropane-1-thiol

3-(18F)fluoropropane-1-thiol (PubChem CID 58654594) has the molecular formula C3H7FS and a molecular weight of 93.16 g/mol. Its IUPAC name is 3-(18F)fluoropropane-1-thiol.

Molecular Properties

Compound Name3-(18F)fluoropropane-1-thiol
PubChem CID58654594
Molecular FormulaC3H7FS
Molecular Weight93.16 g/mol
Exact Mass93.03
IUPAC Name3-(18F)fluoropropane-1-thiol
SMILES[18F]CCCS
InChIInChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2/i4-1
InChIKeyRXUKMWGETCFZCU-NUTRPMROSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoropropane-1-thiol
CID 17787411
3-Fluoropropane-1-thiol
CID 3030914
2-Fluoroethane-1-thiol
CID 21616583
Fluoropropanesulfenyl chloride
CID 129814308
4-Fluorobutane-1-thiol
CID 17787401
2-Fluoropropane-1-thiol
CID 17787404
2,3-Difluoropropane-1-thiol
CID 17787405
1,3-Difluoropropane-2-thiol
CID 17787414
1-Fluoroethanethiol
CID 18424679
1-Fluoropropane-1-thiol
CID 21652344
3-Fluoropropanethial
CID 54526712
3,3-Difluoropropane-1-thiol
CID 56985309

Frequently Asked Questions

What is the IUPAC name of 3-(18F)fluoropropane-1-thiol?
The IUPAC name of 3-(18F)fluoropropane-1-thiol (CID 58654594) is 3-(18F)fluoropropane-1-thiol.
What is the SMILES notation for 3-(18F)fluoropropane-1-thiol?
The canonical SMILES for 3-(18F)fluoropropane-1-thiol is [18F]CCCS.
What is the InChIKey of 3-(18F)fluoropropane-1-thiol?
The InChIKey is RXUKMWGETCFZCU-NUTRPMROSA-N. The full InChI is InChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2/i4-1.
What are the key properties of 3-(18F)fluoropropane-1-thiol?
3-(18F)fluoropropane-1-thiol has a molecular weight of 93.16 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(18F)fluoropropane-1-thiol is sourced from PubChem (CID 58654594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).