2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole

C11H10F2N2O2S4 — CID 133425696

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole
SMILESCCSc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C11H10F2N2O2S4/c1-2-18-10-14-15-11(20-10)19-7-3-5-8(6-4-7)21(16,17)9(12)13/h3-6,9H,2H2,1H3
InChIKeyJUXSDGDVWDLRGJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.80
Rot. Bonds6

About 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole

2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole (PubChem CID 133425696) has the molecular formula C11H10F2N2O2S4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole
PubChem CID133425696
Molecular FormulaC11H10F2N2O2S4
Molecular Weight368.48 g/mol
Exact Mass367.96
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole
SMILESCCSc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2)s1
InChIInChI=1S/C11H10F2N2O2S4/c1-2-18-10-14-15-11(20-10)19-7-3-5-8(6-4-7)21(16,17)9(12)13/h3-6,9H,2H2,1H3
InChIKeyJUXSDGDVWDLRGJ-UHFFFAOYSA-N
XLogP3.80
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Ethylsulfanyl-5-[4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazole
CID 51114214
2-[2-(4-Fluorophenyl)sulfonylethylsulfanyl]-1,3,4-thiadiazole
CID 99836920
2-[4-(Difluoromethylsulfonyl)phenyl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 133424770
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1,3,4-thiadiazole
CID 41957918
2-[3-(Benzenesulfonyl)prop-2-enylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 3633311
2-[(E)-3-(benzenesulfonyl)prop-2-enyl]sulfanyl-5-methyl-1,3,4-thiadiazole
CID 5880943
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-ethylsulfanyl-1,3,4-thiadiazole
CID 37134151
2-[2-(Benzenesulfonyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 47134763
2-Bromo-5-(4-methylsulfonylphenyl)sulfanyl-1,3,4-thiadiazole
CID 64623093

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole (CID 133425696) is 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole is CCSc1nnc(Sc2ccc(S(=O)(=O)C(F)F)cc2)s1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole?
The InChIKey is JUXSDGDVWDLRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S4/c1-2-18-10-14-15-11(20-10)19-7-3-5-8(6-4-7)21(16,17)9(12)13/h3-6,9H,2H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole?
2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole has a molecular weight of 368.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 133425696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).