(3-fluoro-3-methylazetidin-1-yl)methanethiol

C5H10FNS — CID 174337044

IUPAC(3-fluoro-3-methylazetidin-1-yl)methanethiol
SMILESCC1(F)CN(CS)C1
InChIInChI=1S/C5H10FNS/c1-5(6)2-7(3-5)4-8/h8H,2-4H2,1H3
InChIKeyFAMDBHLCAABGGS-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.92
Rot. Bonds1

About (3-fluoro-3-methylazetidin-1-yl)methanethiol

(3-fluoro-3-methylazetidin-1-yl)methanethiol (PubChem CID 174337044) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is (3-fluoro-3-methylazetidin-1-yl)methanethiol.

Molecular Properties

Compound Name(3-fluoro-3-methylazetidin-1-yl)methanethiol
PubChem CID174337044
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name(3-fluoro-3-methylazetidin-1-yl)methanethiol
SMILESCC1(F)CN(CS)C1
InChIInChI=1S/C5H10FNS/c1-5(6)2-7(3-5)4-8/h8H,2-4H2,1H3
InChIKeyFAMDBHLCAABGGS-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
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-fluoro-3-methylazetidin-1-yl)methanethiol?
The IUPAC name of (3-fluoro-3-methylazetidin-1-yl)methanethiol (CID 174337044) is (3-fluoro-3-methylazetidin-1-yl)methanethiol.
What is the SMILES notation for (3-fluoro-3-methylazetidin-1-yl)methanethiol?
The canonical SMILES for (3-fluoro-3-methylazetidin-1-yl)methanethiol is CC1(F)CN(CS)C1.
What is the InChIKey of (3-fluoro-3-methylazetidin-1-yl)methanethiol?
The InChIKey is FAMDBHLCAABGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c1-5(6)2-7(3-5)4-8/h8H,2-4H2,1H3.
What are the key properties of (3-fluoro-3-methylazetidin-1-yl)methanethiol?
(3-fluoro-3-methylazetidin-1-yl)methanethiol has a molecular weight of 135.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-3-methylazetidin-1-yl)methanethiol is sourced from PubChem (CID 174337044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).