3-fluoro-N-methylthian-4-amine

C6H12FNS — CID 84649339

IUPAC3-fluoro-N-methylthian-4-amine
SMILESCNC1CCSCC1F
InChIInChI=1S/C6H12FNS/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyCTWVBOSJSWZDJK-UHFFFAOYSA-N
MW149.23 g/mol
LogP1.05
Rot. Bonds1

About 3-fluoro-N-methylthian-4-amine

3-fluoro-N-methylthian-4-amine (PubChem CID 84649339) has the molecular formula C6H12FNS and a molecular weight of 149.23 g/mol. Its IUPAC name is 3-fluoro-N-methylthian-4-amine.

Molecular Properties

Compound Name3-fluoro-N-methylthian-4-amine
PubChem CID84649339
Molecular FormulaC6H12FNS
Molecular Weight149.23 g/mol
Exact Mass149.07
IUPAC Name3-fluoro-N-methylthian-4-amine
SMILESCNC1CCSCC1F
InChIInChI=1S/C6H12FNS/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3
InChIKeyCTWVBOSJSWZDJK-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methylthian-4-amine?
The IUPAC name of 3-fluoro-N-methylthian-4-amine (CID 84649339) is 3-fluoro-N-methylthian-4-amine.
What is the SMILES notation for 3-fluoro-N-methylthian-4-amine?
The canonical SMILES for 3-fluoro-N-methylthian-4-amine is CNC1CCSCC1F.
What is the InChIKey of 3-fluoro-N-methylthian-4-amine?
The InChIKey is CTWVBOSJSWZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNS/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-fluoro-N-methylthian-4-amine?
3-fluoro-N-methylthian-4-amine has a molecular weight of 149.23 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methylthian-4-amine is sourced from PubChem (CID 84649339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).