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

C7H12F3NS — CID 58388320

IUPAC4-methyl-6-(trifluoromethyl)thian-2-amine
SMILESCC1CC(N)SC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NS/c1-4-2-5(7(8,9)10)12-6(11)3-4/h4-6H,2-3,11H2,1H3
InChIKeyNAHSXVLDXGTIGQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.37
Rot. Bonds

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

4-methyl-6-(trifluoromethyl)thian-2-amine (PubChem CID 58388320) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)thian-2-amine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)thian-2-amine
PubChem CID58388320
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name4-methyl-6-(trifluoromethyl)thian-2-amine
SMILESCC1CC(N)SC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NS/c1-4-2-5(7(8,9)10)12-6(11)3-4/h4-6H,2-3,11H2,1H3
InChIKeyNAHSXVLDXGTIGQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-6-(trifluoromethyl)thian-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(trifluoromethyl)thian-2-amine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)thian-2-amine (CID 58388320) is 4-methyl-6-(trifluoromethyl)thian-2-amine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)thian-2-amine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)thian-2-amine is CC1CC(N)SC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)thian-2-amine?
The InChIKey is NAHSXVLDXGTIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c1-4-2-5(7(8,9)10)12-6(11)3-4/h4-6H,2-3,11H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)thian-2-amine?
4-methyl-6-(trifluoromethyl)thian-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)thian-2-amine is sourced from PubChem (CID 58388320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).