5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole

C10H8F6N6S2 — CID 99724847

IUPAC5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(SC/C=C\CSc2n[nH]c(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C10H8F6N6S2/c11-9(12,13)5-17-7(21-19-5)23-3-1-2-4-24-8-18-6(20-22-8)10(14,15)16/h1-2H,3-4H2,(H,17,19,21)(H,18,20,22)/b2-1-
InChIKeyMINRFGSAWRGIAN-UPHRSURJSA-N
MW390.34 g/mol
LogP3.40
Rot. Bonds6

About 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole

5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole (PubChem CID 99724847) has the molecular formula C10H8F6N6S2 and a molecular weight of 390.34 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole
PubChem CID99724847
Molecular FormulaC10H8F6N6S2
Molecular Weight390.34 g/mol
Exact Mass390.02
IUPAC Name5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(SC/C=C\CSc2n[nH]c(C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C10H8F6N6S2/c11-9(12,13)5-17-7(21-19-5)23-3-1-2-4-24-8-18-6(20-22-8)10(14,15)16/h1-2H,3-4H2,(H,17,19,21)(H,18,20,22)/b2-1-
InChIKeyMINRFGSAWRGIAN-UPHRSURJSA-N
XLogP3.40
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole (CID 99724847) is 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole is FC(F)(F)c1nc(SC/C=C\CSc2n[nH]c(C(F)(F)F)n2)n[nH]1.
What is the InChIKey of 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole?
The InChIKey is MINRFGSAWRGIAN-UPHRSURJSA-N. The full InChI is InChI=1S/C10H8F6N6S2/c11-9(12,13)5-17-7(21-19-5)23-3-1-2-4-24-8-18-6(20-22-8)10(14,15)16/h1-2H,3-4H2,(H,17,19,21)(H,18,20,22)/b2-1-.
What are the key properties of 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole?
5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole has a molecular weight of 390.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3-[(Z)-4-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]but-2-enyl]sulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 99724847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).