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

C6H6F3NS — CID 143430190

IUPAC4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine
SMILESCC1=CCSC(C(F)(F)F)=N1
InChIInChI=1S/C6H6F3NS/c1-4-2-3-11-5(10-4)6(7,8)9/h2H,3H2,1H3
InChIKeyZMDHIRFUKRBUIY-UHFFFAOYSA-N
MW181.18 g/mol
LogP2.60
Rot. Bonds

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

4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine (PubChem CID 143430190) has the molecular formula C6H6F3NS and a molecular weight of 181.18 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine
PubChem CID143430190
Molecular FormulaC6H6F3NS
Molecular Weight181.18 g/mol
Exact Mass181.02
IUPAC Name4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine
SMILESCC1=CCSC(C(F)(F)F)=N1
InChIInChI=1S/C6H6F3NS/c1-4-2-3-11-5(10-4)6(7,8)9/h2H,3H2,1H3
InChIKeyZMDHIRFUKRBUIY-UHFFFAOYSA-N
XLogP2.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-trifluoromethyl-1,3-thiazine-6-thione
CID 15548327
ethyl N-(3,3,3-trifluoroprop-1-en-2-yl)ethanimidothioate
CID 145241360
2,4-dimethyl-6H-1,3-thiazine
CID 142168975

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine (CID 143430190) is 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine is CC1=CCSC(C(F)(F)F)=N1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine?
The InChIKey is ZMDHIRFUKRBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS/c1-4-2-3-11-5(10-4)6(7,8)9/h2H,3H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine?
4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine has a molecular weight of 181.18 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-6H-1,3-thiazine is sourced from PubChem (CID 143430190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).