5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine

C8H14F3NS — CID 91346030

IUPAC5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
SMILESCC1CC(N)CSC1CC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-5-2-6(12)4-13-7(5)3-8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyVUFOCYGSXKZENG-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.41
Rot. Bonds1

About 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine

5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine (PubChem CID 91346030) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine.

Molecular Properties

Compound Name5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
PubChem CID91346030
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine
SMILESCC1CC(N)CSC1CC(F)(F)F
InChIInChI=1S/C8H14F3NS/c1-5-2-6(12)4-13-7(5)3-8(9,10)11/h5-7H,2-4,12H2,1H3
InChIKeyVUFOCYGSXKZENG-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-(trifluoromethyl)thian-2-amine
CID 58388320
7-(Aminomethylsulfanyl)-3-(trifluoromethyl)heptan-2-amine
CID 129095905
1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-2-amine
CID 62720807
1,1,1-Trifluoro-2-(3-methylcyclohexyl)sulfanylpentan-3-amine
CID 62720808
4,4,4-Trifluoro-3-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 62721727
3-(2,2,2-Trifluoroethyl)thian-4-amine
CID 82397860
4-(2,2,2-Trifluoroethyl)thian-3-amine
CID 82397861
3,3,3-Trifluoro-2-(thian-4-yl)propan-1-amine
CID 83821290
2-(4,4-Difluorothian-3-yl)ethanamine
CID 84768506
5-(2,2,2-Trifluoroethyl)thiepan-4-amine
CID 84782839
[4-(2,2,2-Trifluoroethyl)thian-3-yl]methanamine
CID 84782840

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine?
The IUPAC name of 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine (CID 91346030) is 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine.
What is the SMILES notation for 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine?
The canonical SMILES for 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine is CC1CC(N)CSC1CC(F)(F)F.
What is the InChIKey of 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine?
The InChIKey is VUFOCYGSXKZENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c1-5-2-6(12)4-13-7(5)3-8(9,10)11/h5-7H,2-4,12H2,1H3.
What are the key properties of 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine?
5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine has a molecular weight of 213.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2,2,2-trifluoroethyl)thian-3-amine is sourced from PubChem (CID 91346030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).