3-amino-2-fluoropropane-1-thiol

C3H8FNS — CID 137454994

IUPAC3-amino-2-fluoropropane-1-thiol
SMILESNCC(F)CS
InChIInChI=1S/C3H8FNS/c4-3(1-5)2-6/h3,6H,1-2,5H2
InChIKeyILISYZWNPQCSCB-UHFFFAOYSA-N
MW109.17 g/mol
LogP0.21
Rot. Bonds2

About 3-amino-2-fluoropropane-1-thiol

3-amino-2-fluoropropane-1-thiol (PubChem CID 137454994) has the molecular formula C3H8FNS and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-amino-2-fluoropropane-1-thiol.

Molecular Properties

Compound Name3-amino-2-fluoropropane-1-thiol
PubChem CID137454994
Molecular FormulaC3H8FNS
Molecular Weight109.17 g/mol
Exact Mass109.04
IUPAC Name3-amino-2-fluoropropane-1-thiol
SMILESNCC(F)CS
InChIInChI=1S/C3H8FNS/c4-3(1-5)2-6/h3,6H,1-2,5H2
InChIKeyILISYZWNPQCSCB-UHFFFAOYSA-N
XLogP0.21
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-fluoropropane-1-thiol?
The IUPAC name of 3-amino-2-fluoropropane-1-thiol (CID 137454994) is 3-amino-2-fluoropropane-1-thiol.
What is the SMILES notation for 3-amino-2-fluoropropane-1-thiol?
The canonical SMILES for 3-amino-2-fluoropropane-1-thiol is NCC(F)CS.
What is the InChIKey of 3-amino-2-fluoropropane-1-thiol?
The InChIKey is ILISYZWNPQCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNS/c4-3(1-5)2-6/h3,6H,1-2,5H2.
What are the key properties of 3-amino-2-fluoropropane-1-thiol?
3-amino-2-fluoropropane-1-thiol has a molecular weight of 109.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-fluoropropane-1-thiol is sourced from PubChem (CID 137454994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).