About benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene
benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene (PubChem CID 158162468) has the molecular formula C146H255N47O42S10-2
and a molecular weight of 3661.60 g/mol. Its IUPAC name is benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene.
Frequently Asked Questions
What is the IUPAC name of benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene?
The IUPAC name of benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene (CID 158162468) is benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene.
What is the SMILES notation for benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene?
The canonical SMILES for benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene is C1=NN=NC1.CC(C)(CO)n1ncnn1.CC(C)(O)Cn1cccn1.CC(C)(O)c1ncno1.CC1(O)CCC(O)C1.CN1CC(O)CCS1(=O)=O.CN1CCC(O)C1=O.COCCCS(=O)[O-].CS(=O)(=O)N1CC(O)C1.CS(=O)(=O)N1CCC(O)C1.CS(=O)(=O)N1CCC(O)CC1.CS(=O)(=O)N1CCCC(O)C1.Cc1cc(C)n(C)n1.Cc1cccc(C)c1.Cc1cn(C)cn1.Cc1nccn1C.Cc1ncno1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1.Cn1cnnn1.Cn1ncnn1.O=S([O-])CCCO.O=S1(=O)CCC(O)CC1.O=S1(=O)CCC(O)CN1.OC1CCOC1.OC1CCOCC1.c1ccccc1.c1ccoc1.c1cocn1.c1cscn1.c1nc[nH]n1.
What is the InChIKey of benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene?
The InChIKey is YNRSPDRYRQGBOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10.C7H12N2O.C6H10N2.2C6H13NO3S.C6H12O2.C6H6.C5H10N4O.C5H8N2O2.2C5H8N2.2C5H11NO3S.C5H9NO2.C5H10O3S.C5H10O2.4C4H6N2.2C4H9NO3S.C4H10O3S.C4H8O2.C4H4O.C3H4N2O.C3H3NO.C3H3NS.C3H8O3S.2C2H4N4.2C2H3N3/c1-7-4-3-5-8(2)6-7;1-7(2,10)6-9-5-3-4-8-9;1-5-4-6(2)8(3)7-5;1-11(9,10)7-4-2-6(8)3-5-7;1-11(9,10)7-4-2-3-6(8)5-7;1-6(8)3-2-5(7)4-6;1-2-4-6-5-3-1;1-5(2,3-10)9-7-4-6-8-9;1-5(2,8)4-6-3-7-9-4;1-5-3-7(2)4-6-5;1-5-6-3-4-7(5)2;1-10(8,9)6-3-2-5(7)4-6;1-6-4-5(7)2-3-10(6,8)9;1-6-3-2-4(7)5(6)8;6-5-1-3-9(7,8)4-2-5;6-5-1-3-7-4-2-5;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;1-9(7,8)5-2-4(6)3-5;6-4-1-2-9(7,8)5-3-4;1-7-3-2-4-8(5)6;5-4-1-2-6-3-4;1-2-4-5-3-1;1-3-4-2-5-6-3;2*1-2-5-3-4-1;4-2-1-3-7(5)6;1-6-2-3-4-5-6;1-6-4-2-3-5-6;1-3-2-5-4-1;1-2-4-5-3-1/h3-6H,1-2H3;3-5,10H,6H2,1-2H3;4H,1-3H3;2*6,8H,2-5H2,1H3;5,7-8H,2-4H2,1H3;1-6H;4,10H,3H2,1-2H3;3,8H,1-2H3;2*3-4H,1-2H3;2*5,7H,2-4H2,1H3;4,7H,2-3H2,1H3;5-6H,1-4H2;5-6H,1-4H2;4*2-4H,1H3;4,6H,2-3H2,1H3;4-6H,1-3H2;2-4H2,1H3,(H,5,6);4-5H,1-3H2;1-4H;2H,1H3;2*1-3H;4H,1-3H2,(H,5,6);2*2H,1H3;1-2H,(H,3,4,5);1H,2H2/p-2.
What are the key properties of benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene?
benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene has a molecular weight of 3661.60 g/mol, XLogP of 2.90, 16 rotatable bonds, 18 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,1-dioxothian-4-ol;1,1-dioxothiazinan-4-ol;furan;3-hydroxy-1-methylpyrrolidin-2-one;3-hydroxypropane-1-sulfinate;3-methoxypropane-1-sulfinate;1-methylcyclopentane-1,3-diol;2-methyl-1,1-dioxothiazinan-4-ol;bis(1-methylimidazole);5-methyl-1,2,4-oxadiazole;bis(1-methylpyrazole);2-methyl-1-pyrazol-1-ylpropan-2-ol;1-methylsulfonylazetidin-3-ol;1-methylsulfonylpiperidin-3-ol;1-methylsulfonylpiperidin-4-ol;1-methylsulfonylpyrrolidin-3-ol;1-methyltetrazole;2-methyltetrazole;2-methyl-2-(tetrazol-2-yl)propan-1-ol;2-(1,2,4-oxadiazol-5-yl)propan-2-ol;oxan-4-ol;1,3-oxazole;oxolan-3-ol;1,3-thiazole;1H-1,2,4-triazole;4H-triazole;1,3,5-trimethylpyrazole;1,3-xylene is sourced from PubChem (CID 158162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).