ethane;2-methyl-1,3,4-thiadiazole;toluene

C14H24N2S — CID 91576744

IUPACethane;2-methyl-1,3,4-thiadiazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1nncs1
InChIInChI=1S/C7H8.C3H4N2S.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-4-2-6-3;2*1-2/h2-6H,1H3;2H,1H3;2*1-2H3
InChIKeyRPIFTGMZHQBQOD-UHFFFAOYSA-N
MW252.43 g/mol
LogP4.89
Rot. Bonds

About ethane;2-methyl-1,3,4-thiadiazole;toluene

ethane;2-methyl-1,3,4-thiadiazole;toluene (PubChem CID 91576744) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is ethane;2-methyl-1,3,4-thiadiazole;toluene.

Molecular Properties

Compound Nameethane;2-methyl-1,3,4-thiadiazole;toluene
PubChem CID91576744
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Nameethane;2-methyl-1,3,4-thiadiazole;toluene
SMILESCC.CC.Cc1ccccc1.Cc1nncs1
InChIInChI=1S/C7H8.C3H4N2S.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-4-2-6-3;2*1-2/h2-6H,1H3;2H,1H3;2*1-2H3
InChIKeyRPIFTGMZHQBQOD-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3,4-thiadiazole;toluene?
The IUPAC name of ethane;2-methyl-1,3,4-thiadiazole;toluene (CID 91576744) is ethane;2-methyl-1,3,4-thiadiazole;toluene.
What is the SMILES notation for ethane;2-methyl-1,3,4-thiadiazole;toluene?
The canonical SMILES for ethane;2-methyl-1,3,4-thiadiazole;toluene is CC.CC.Cc1ccccc1.Cc1nncs1.
What is the InChIKey of ethane;2-methyl-1,3,4-thiadiazole;toluene?
The InChIKey is RPIFTGMZHQBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H4N2S.2C2H6/c1-7-5-3-2-4-6-7;1-3-5-4-2-6-3;2*1-2/h2-6H,1H3;2H,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1,3,4-thiadiazole;toluene?
ethane;2-methyl-1,3,4-thiadiazole;toluene has a molecular weight of 252.43 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3,4-thiadiazole;toluene is sourced from PubChem (CID 91576744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).