ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

C60H106N6O3S4 — CID 157441369

IUPACethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.C5H7N.C5H6O.C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;9*1-2/h2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;5*2-3H,1H3;9*1-2H3
InChIKeyBRSHACCOZNYLBR-UHFFFAOYSA-N
MW1087.81 g/mol
LogP22.52
Rot. Bonds

About ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 157441369) has the molecular formula C60H106N6O3S4 and a molecular weight of 1087.81 g/mol. Its IUPAC name is ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

Compound Nameethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
PubChem CID157441369
Molecular FormulaC60H106N6O3S4
Molecular Weight1087.81 g/mol
Exact Mass1086.72
IUPAC Nameethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C7H8.C5H7N.C5H6O.C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;9*1-2/h2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;5*2-3H,1H3;9*1-2H3
InChIKeyBRSHACCOZNYLBR-UHFFFAOYSA-N
XLogP22.52
TPSA119.66 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.81
LogP ≤ 522.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The IUPAC name of ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 157441369) is ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.
What is the SMILES notation for ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The canonical SMILES for ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
The InChIKey is BRSHACCOZNYLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H7N.C5H6O.C5H6S.2C4H5NO.3C4H5NS.9C2H6/c1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;9*1-2/h2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;5*2-3H,1H3;9*1-2H3.
What are the key properties of ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene has a molecular weight of 1087.81 g/mol, XLogP of 22.52, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 157441369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).