ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene

C222H299N13O5S10 — CID 158110472

IUPACethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(-c3ccccc3)s2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)cn1.Cc1ccc(-c2cccs2)s1.Cc1cccc(-c2ccccn2)n1.Cc1ccco1.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccn1-c1ccccc1.Cn1cccc1
InChIInChI=1S/C15H12S2.C14H12N2.2C11H10N2.C11H10S.C10H10N2.2C10H9N.2C9H8O.C9H8S2.2C9H8S.C8H7NO.C8H7NS.C5H7N.2C5H6O.2C5H6S.22C2H6/c1-11-7-8-14(16-11)15-10-9-13(17-15)12-5-3-2-4-6-12;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-9-5-4-7-11(13-9)10-6-2-3-8-12-10;1-9-5-6-10(8-13-9)11-4-2-3-7-12-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;22*1-2/h2-10H,1H3;2-10H,1H3;2*2-8H,1H3;2*2-8H,1H3;2*2-7H,1H3;2*2-6H,1H3;2-6H,1H3;2*2-6H,1H3;2*2-5H,1H3;2-5H,1H3;4*2-4H,1H3;22*1-2H3
InChIKeyFQJFJLUZGIWAQW-UHFFFAOYSA-N
MW3550.59 g/mol
LogP76.00
Rot. Bonds8

About ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene

ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene (PubChem CID 158110472) has the molecular formula C222H299N13O5S10 and a molecular weight of 3550.59 g/mol. Its IUPAC name is ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Nameethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene
PubChem CID158110472
Molecular FormulaC222H299N13O5S10
Molecular Weight3550.59 g/mol
Exact Mass3547.07
IUPAC Nameethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(-c3ccccc3)s2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)cn1.Cc1ccc(-c2cccs2)s1.Cc1cccc(-c2ccccn2)n1.Cc1ccco1.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccn1-c1ccccc1.Cn1cccc1
InChIInChI=1S/C15H12S2.C14H12N2.2C11H10N2.C11H10S.C10H10N2.2C10H9N.2C9H8O.C9H8S2.2C9H8S.C8H7NO.C8H7NS.C5H7N.2C5H6O.2C5H6S.22C2H6/c1-11-7-8-14(16-11)15-10-9-13(17-15)12-5-3-2-4-6-12;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-9-5-4-7-11(13-9)10-6-2-3-8-12-10;1-9-5-6-10(8-13-9)11-4-2-3-7-12-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;22*1-2/h2-10H,1H3;2-10H,1H3;2*2-8H,1H3;2*2-8H,1H3;2*2-7H,1H3;2*2-6H,1H3;2-6H,1H3;2*2-6H,1H3;2*2-5H,1H3;2-5H,1H3;4*2-4H,1H3;22*1-2H3
InChIKeyFQJFJLUZGIWAQW-UHFFFAOYSA-N
XLogP76.00
TPSA209.39 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003550.59
LogP ≤ 576.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene with MolForge

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Related Compounds

3-Ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfinyl)benzimidazol-2-yl]quinoline;3-ethylsulfonyl-2-[1-methyl-5-(trifluoromethylsulfonyl)benzimidazol-2-yl]quinoline;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfinyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 157189623
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
dialuminum;diberyllium;tetrazinc;bis([2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide);bis(N-[2-(benzotriazol-2-yl)phenyl]-2,2,2-trifluoroethanimidate);bis([2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide);bis([2-(1-phenylbenzimidazol-2-yl)phenyl]-(trifluoromethyl)azanide)
CID 159069487
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene?
The IUPAC name of ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene (CID 158110472) is ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene.
What is the SMILES notation for ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene?
The canonical SMILES for ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2ccccc2o1.Cc1cc2ccccc2s1.Cc1ccc(-c2ccc(-c3ccccc3)s2)s1.Cc1ccc(-c2ccccc2)s1.Cc1ccc(-c2ccccn2)cn1.Cc1ccc(-c2cccs2)s1.Cc1cccc(-c2ccccn2)n1.Cc1ccco1.Cc1cccs1.Cc1ccnc2ccccc12.Cc1ccoc1.Cc1ccsc1.Cc1cnc2ccccc2c1.Cc1coc2ccccc12.Cc1csc2ccccc12.Cc1nc2ccccc2n1-c1ccccc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccn1-c1ccccc1.Cn1cccc1.
What is the InChIKey of ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene?
The InChIKey is FQJFJLUZGIWAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S2.C14H12N2.2C11H10N2.C11H10S.C10H10N2.2C10H9N.2C9H8O.C9H8S2.2C9H8S.C8H7NO.C8H7NS.C5H7N.2C5H6O.2C5H6S.22C2H6/c1-11-7-8-14(16-11)15-10-9-13(17-15)12-5-3-2-4-6-12;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-9-5-4-7-11(13-9)10-6-2-3-8-12-10;1-9-5-6-10(8-13-9)11-4-2-3-7-12-11;1-9-7-8-11(12-9)10-5-3-2-4-6-10;1-9-11-7-8-12(9)10-5-3-2-4-6-10;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-4-5-9(11-7)8-3-2-6-10-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-2-3-5-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;22*1-2/h2-10H,1H3;2-10H,1H3;2*2-8H,1H3;2*2-8H,1H3;2*2-7H,1H3;2*2-6H,1H3;2-6H,1H3;2*2-6H,1H3;2*2-5H,1H3;2-5H,1H3;4*2-4H,1H3;22*1-2H3.
What are the key properties of ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene?
ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene has a molecular weight of 3550.59 g/mol, XLogP of 76.00, 8 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;2-methylfuran;3-methylfuran;2-methyl-1-phenylbenzimidazole;2-methyl-1-phenylimidazole;2-methyl-5-phenylthiophene;2-methyl-5-(5-phenylthiophen-2-yl)thiophene;2-methyl-5-pyridin-2-ylpyridine;2-methyl-6-pyridin-2-ylpyridine;1-methylpyrrole;3-methylquinoline;4-methylquinoline;2-methylthiophene;3-methylthiophene;2-methyl-5-thiophen-2-ylthiophene is sourced from PubChem (CID 158110472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).