2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole

C9H6F3NOS2 — CID 119007378

IUPAC2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCSc1nc2ccc(SC(F)(F)F)cc2o1
InChIInChI=1S/C9H6F3NOS2/c1-15-8-13-6-3-2-5(4-7(6)14-8)16-9(10,11)12/h2-4H,1H3
InChIKeyUZONTHUGXNNHCQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.16
Rot. Bonds2

About 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole

2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole (PubChem CID 119007378) has the molecular formula C9H6F3NOS2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole
PubChem CID119007378
Molecular FormulaC9H6F3NOS2
Molecular Weight265.28 g/mol
Exact Mass264.98
IUPAC Name2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole
SMILESCSc1nc2ccc(SC(F)(F)F)cc2o1
InChIInChI=1S/C9H6F3NOS2/c1-15-8-13-6-3-2-5(4-7(6)14-8)16-9(10,11)12/h2-4H,1H3
InChIKeyUZONTHUGXNNHCQ-UHFFFAOYSA-N
XLogP4.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 118820889
6-(trifluoromethylsulfanyl)-1,3-benzoxazole-2-sulfonyl chloride
CID 131522980
2-(2-methylsulfanyl-1,3-benzoxazol-6-yl)acetonitrile
CID 118848980
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
methyl 2-methylsulfanyl-1,3-benzoxazole-6-carboxylate
CID 59603330
2-methylsulfanyl-6-(1,3-thiazol-4-yl)-1,3-benzoxazole
CID 155083740
2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 118826188
2-(bromomethyl)-6-methylsulfanyl-1,3-benzoxazole
CID 118808916
CID 167506627
CID 167506627
2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
CID 116853551
5-(trifluoromethylsulfanyl)-2H-benzotriazole
CID 119087324
N-[1-(2-methylsulfanyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 130472766

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole (CID 119007378) is 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole is CSc1nc2ccc(SC(F)(F)F)cc2o1.
What is the InChIKey of 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole?
The InChIKey is UZONTHUGXNNHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NOS2/c1-15-8-13-6-3-2-5(4-7(6)14-8)16-9(10,11)12/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole?
2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole has a molecular weight of 265.28 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-(trifluoromethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 119007378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).