3-fluorothian-4-amine

C5H10FNS — CID 84648259

IUPAC3-fluorothian-4-amine
SMILESNC1CCSCC1F
InChIInChI=1S/C5H10FNS/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2
InChIKeyJKPZLBOSIOTBAR-UHFFFAOYSA-N
MW135.21 g/mol
LogP0.79
Rot. Bonds

About 3-fluorothian-4-amine

3-fluorothian-4-amine (PubChem CID 84648259) has the molecular formula C5H10FNS and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-fluorothian-4-amine.

Molecular Properties

Compound Name3-fluorothian-4-amine
PubChem CID84648259
Molecular FormulaC5H10FNS
Molecular Weight135.21 g/mol
Exact Mass135.05
IUPAC Name3-fluorothian-4-amine
SMILESNC1CCSCC1F
InChIInChI=1S/C5H10FNS/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2
InChIKeyJKPZLBOSIOTBAR-UHFFFAOYSA-N
XLogP0.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothiopyran-4-ylamine
CID 418807
Thian-4-amine hydrochloride
CID 18331311
Thian-3-amine
CID 14024567
Thian-3-amine hydrochloride
CID 119031857
1-(2-Fluoroethylsulfanyl)propan-2-amine
CID 80698286
(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine
CID 130236314
(2R)-1-(2-fluoroethylsulfanyl)butan-2-amine
CID 130261812
4-Ethylsulfanyl-1-fluorobutan-2-amine
CID 22752196
2-Ethylsulfanyl-1,1,1-trifluoropentan-3-amine
CID 61647962
4-(2-Fluoroethylsulfanyl)butan-2-amine
CID 80698287
1-(2-Fluoroethylsulfanyl)butan-2-amine
CID 80698408
1-(3-Fluoropropylsulfanyl)propan-2-amine
CID 81106984

Frequently Asked Questions

What is the IUPAC name of 3-fluorothian-4-amine?
The IUPAC name of 3-fluorothian-4-amine (CID 84648259) is 3-fluorothian-4-amine.
What is the SMILES notation for 3-fluorothian-4-amine?
The canonical SMILES for 3-fluorothian-4-amine is NC1CCSCC1F.
What is the InChIKey of 3-fluorothian-4-amine?
The InChIKey is JKPZLBOSIOTBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNS/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2.
What are the key properties of 3-fluorothian-4-amine?
3-fluorothian-4-amine has a molecular weight of 135.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorothian-4-amine is sourced from PubChem (CID 84648259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).