2-methyl-6-(trifluoromethyl)thian-4-amine

C7H12F3NS — CID 91004837

IUPAC2-methyl-6-(trifluoromethyl)thian-4-amine
SMILESCC1CC(N)CC(C(F)(F)F)S1
InChIInChI=1S/C7H12F3NS/c1-4-2-5(11)3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3
InChIKeyROGAUOZDDKRJDZ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.16
Rot. Bonds

About 2-methyl-6-(trifluoromethyl)thian-4-amine

2-methyl-6-(trifluoromethyl)thian-4-amine (PubChem CID 91004837) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)thian-4-amine.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)thian-4-amine
PubChem CID91004837
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name2-methyl-6-(trifluoromethyl)thian-4-amine
SMILESCC1CC(N)CC(C(F)(F)F)S1
InChIInChI=1S/C7H12F3NS/c1-4-2-5(11)3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3
InChIKeyROGAUOZDDKRJDZ-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)thian-4-amine?
The IUPAC name of 2-methyl-6-(trifluoromethyl)thian-4-amine (CID 91004837) is 2-methyl-6-(trifluoromethyl)thian-4-amine.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)thian-4-amine?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)thian-4-amine is CC1CC(N)CC(C(F)(F)F)S1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)thian-4-amine?
The InChIKey is ROGAUOZDDKRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-4-2-5(11)3-6(12-4)7(8,9)10/h4-6H,2-3,11H2,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)thian-4-amine?
2-methyl-6-(trifluoromethyl)thian-4-amine has a molecular weight of 199.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)thian-4-amine is sourced from PubChem (CID 91004837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).