2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione

C6H4F3NS2 — CID 15548327

IUPAC2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione
SMILESCc1nc(C(F)(F)F)cc(=S)s1
InChIInChI=1S/C6H4F3NS2/c1-3-10-4(6(7,8)9)2-5(11)12-3/h2H,1H3
InChIKeyUDWRKXDLBOXSFQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP3.20
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione

2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione (PubChem CID 15548327) has the molecular formula C6H4F3NS2 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione
PubChem CID15548327
Molecular FormulaC6H4F3NS2
Molecular Weight211.23 g/mol
Exact Mass210.97
IUPAC Name2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione
SMILESCc1nc(C(F)(F)F)cc(=S)s1
InChIInChI=1S/C6H4F3NS2/c1-3-10-4(6(7,8)9)2-5(11)12-3/h2H,1H3
InChIKeyUDWRKXDLBOXSFQ-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione 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 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione (CID 15548327) is 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione is Cc1nc(C(F)(F)F)cc(=S)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione?
The InChIKey is UDWRKXDLBOXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NS2/c1-3-10-4(6(7,8)9)2-5(11)12-3/h2H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione?
2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione has a molecular weight of 211.23 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,3-thiazine-6-thione is sourced from PubChem (CID 15548327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).