4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid

C6H10F3NO3S3 — CID 158623862

IUPAC4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid
SMILESCSC1=NC(C)CS1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H9NS2.CHF3O3S/c1-4-3-8-5(6-4)7-2;2-1(3,4)8(5,6)7/h4H,3H2,1-2H3;(H,5,6,7)
InChIKeyHYIMDANWMPEOQC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.23
Rot. Bonds

About 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid

4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid (PubChem CID 158623862) has the molecular formula C6H10F3NO3S3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid
PubChem CID158623862
Molecular FormulaC6H10F3NO3S3
Molecular Weight297.35 g/mol
Exact Mass296.98
IUPAC Name4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid
SMILESCSC1=NC(C)CS1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H9NS2.CHF3O3S/c1-4-3-8-5(6-4)7-2;2-1(3,4)8(5,6)7/h4H,3H2,1-2H3;(H,5,6,7)
InChIKeyHYIMDANWMPEOQC-UHFFFAOYSA-N
XLogP2.23
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
disulfanylmethane;trifluoromethanesulfonic acid
CID 171924126
2-(methoxymethyl)-6-methylsulfanyl-2,3,4,5-tetrahydropyridine;trifluoromethanesulfonic acid
CID 171924939
phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
CID 174954004
iodomethane;trifluoromethanesulfonic acid
CID 87959782
methanethiol;trifluoromethanesulfonic acid
CID 171923949
3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 84662890
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;zinc
CID 45051803
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
chloro(trimethyl)silane;bis(trifluoromethanesulfonic acid)
CID 162109712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid?
The IUPAC name of 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid (CID 158623862) is 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid?
The canonical SMILES for 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid is CSC1=NC(C)CS1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid?
The InChIKey is HYIMDANWMPEOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS2.CHF3O3S/c1-4-3-8-5(6-4)7-2;2-1(3,4)8(5,6)7/h4H,3H2,1-2H3;(H,5,6,7).
What are the key properties of 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid?
4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid has a molecular weight of 297.35 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole;trifluoromethanesulfonic acid is sourced from PubChem (CID 158623862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).