5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene

C163H183Cl5F3N11OS8 — CID 158224739

IUPAC5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene
SMILESCC(C)Cc1ccccc1.CCCc1ccc(Cl)cc1.CCCc1ccc(F)cc1.CCCc1cccc(C)c1.CCCc1cccc(C)n1.CCCc1cccc(Cl)c1.CCCc1ccccc1.CCCc1ccccc1C.CCCc1ccccc1Cl.COc1ccc2sc(C)nc2c1.Cc1ccc(C)nc1.Cc1cccc2[nH]c(=S)sc12.Cc1ccccc1.Cc1nc2c(F)cccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1
InChIInChI=1S/3C10H14.3C9H11Cl.C9H11F.C9H9NOS.C9H13N.C9H12.2C8H6ClNS.2C8H6FNS.C8H8N2.C8H7NS2.C8H7NS.C7H9N.C7H8/c1-9(2)8-10-6-4-3-5-7-10;1-3-6-10-8-5-4-7-9(10)2;1-3-5-10-7-4-6-9(2)8-10;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;2*1-2-3-8-4-6-9(10)7-5-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-3-5-9-7-4-6-8(2)10-9;1-2-6-9-7-4-3-5-8-9;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-7(5)11-8(10)9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;4-5,7-8H,3,6H2,1-2H3;4,6-8H,3,5H2,1-2H3;3-4,6-7H,2,5H2,1H3;3,5-7H,2,4H2,1H3;2*4-7H,2-3H2,1H3;3-5H,1-2H3;4,6-7H,3,5H2,1-2H3;3-5,7-8H,2,6H2,1H3;4*2-4H,1H3;2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-5H,1H3;3-5H,1-2H3;2-6H,1H3
InChIKeyGDQVLXCEALXVDF-UHFFFAOYSA-N
MW2803.13 g/mol
LogP52.47
Rot. Bonds19

About 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene

5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene (PubChem CID 158224739) has the molecular formula C163H183Cl5F3N11OS8 and a molecular weight of 2803.13 g/mol. Its IUPAC name is 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene.

Molecular Properties

Compound Name5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene
PubChem CID158224739
Molecular FormulaC163H183Cl5F3N11OS8
Molecular Weight2803.13 g/mol
Exact Mass2798.08
IUPAC Name5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene
SMILESCC(C)Cc1ccccc1.CCCc1ccc(Cl)cc1.CCCc1ccc(F)cc1.CCCc1cccc(C)c1.CCCc1cccc(C)n1.CCCc1cccc(Cl)c1.CCCc1ccccc1.CCCc1ccccc1C.CCCc1ccccc1Cl.COc1ccc2sc(C)nc2c1.Cc1ccc(C)nc1.Cc1cccc2[nH]c(=S)sc12.Cc1ccccc1.Cc1nc2c(F)cccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1
InChIInChI=1S/3C10H14.3C9H11Cl.C9H11F.C9H9NOS.C9H13N.C9H12.2C8H6ClNS.2C8H6FNS.C8H8N2.C8H7NS2.C8H7NS.C7H9N.C7H8/c1-9(2)8-10-6-4-3-5-7-10;1-3-6-10-8-5-4-7-9(10)2;1-3-5-10-7-4-6-9(2)8-10;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;2*1-2-3-8-4-6-9(10)7-5-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-3-5-9-7-4-6-8(2)10-9;1-2-6-9-7-4-3-5-8-9;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-7(5)11-8(10)9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;4-5,7-8H,3,6H2,1-2H3;4,6-8H,3,5H2,1-2H3;3-4,6-7H,2,5H2,1H3;3,5-7H,2,4H2,1H3;2*4-7H,2-3H2,1H3;3-5H,1-2H3;4,6-7H,3,5H2,1-2H3;3-5,7-8H,2,6H2,1H3;4*2-4H,1H3;2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-5H,1H3;3-5H,1-2H3;2-6H,1H3
InChIKeyGDQVLXCEALXVDF-UHFFFAOYSA-N
XLogP52.47
TPSA156.82 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002803.13
LogP ≤ 552.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene with MolForge

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Related Compounds

2-chloro-5-methylaniline;1-chloro-3-methylbenzene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine
CID 159285035
1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-2-(2-methylpropyl)benzene;1-isocyano-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-methyl-4-(2-methylpropyl)benzene)
CID 158696321
3,3-dimethylbutylbenzene;1-(3,3-dimethylbutyl)-2-fluorobenzene;1-(3,3-dimethylbutyl)-4-fluorobenzene;1-(3,3-dimethylbutyl)-4-methoxybenzene;1-(3,3-dimethylbutyl)-2-methylbenzene;1-(3,3-dimethylbutyl)-3-methylbenzene
CID 158962434
1-chloro-2-(2-methylpropyl)benzene;1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;2,3-dimethylbutane;2,4-dimethylpentane;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;bis(1-methyl-3-(2-methylpropyl)benzene);1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;3-(2-methylpropyl)-1H-indole;hydrochloride
CID 158820526
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159982036
2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1,6-dichloro-7-methylnaphthalene;(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;2-methylbenzamide;3-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
CID 159490356
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
N-(2-chloro-4-methylphenyl)-3-methylbutanamide;5-chloro-2-(2-methylpropyl)-1,3-benzothiazole;N-[(4-chlorophenyl)methyl]-3-methylbutanamide;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;N-ethyl-N-(4-fluorophenyl)-3-methylbutanamide;6-methoxy-2-(2-methylpropyl)-1,3-benzothiazole;2-(2-methylpropyl)-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-ylpyrimidine
CID 158964967
6-chloro-2-methyl-1,3-benzothiazole;4,4-diethylheptane;1-ethyl-4-methoxybenzene;formaldehyde
CID 144923265
1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;2-methylpropylcyclopropane
CID 159794505
4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid
CID 91224186
cumene;methane;1-methoxy-4-propan-2-ylbenzene;2-methylpropane;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;2-methylpropylbenzene
CID 158878620

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene?
The IUPAC name of 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene (CID 158224739) is 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene.
What is the SMILES notation for 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene?
The canonical SMILES for 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene is CC(C)Cc1ccccc1.CCCc1ccc(Cl)cc1.CCCc1ccc(F)cc1.CCCc1cccc(C)c1.CCCc1cccc(C)n1.CCCc1cccc(Cl)c1.CCCc1ccccc1.CCCc1ccccc1C.CCCc1ccccc1Cl.COc1ccc2sc(C)nc2c1.Cc1ccc(C)nc1.Cc1cccc2[nH]c(=S)sc12.Cc1ccccc1.Cc1nc2c(F)cccc2s1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccc(F)cc2s1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2s1.
What is the InChIKey of 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene?
The InChIKey is GDQVLXCEALXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14.3C9H11Cl.C9H11F.C9H9NOS.C9H13N.C9H12.2C8H6ClNS.2C8H6FNS.C8H8N2.C8H7NS2.C8H7NS.C7H9N.C7H8/c1-9(2)8-10-6-4-3-5-7-10;1-3-6-10-8-5-4-7-9(10)2;1-3-5-10-7-4-6-9(2)8-10;1-2-5-8-6-3-4-7-9(8)10;1-2-4-8-5-3-6-9(10)7-8;2*1-2-3-8-4-6-9(10)7-5-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-3-5-9-7-4-6-8(2)10-9;1-2-6-9-7-4-3-5-8-9;1-5-10-7-4-6(9)2-3-8(7)11-5;2*1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-10-8-6(9)3-2-4-7(8)11-5;1-6-9-7-4-2-3-5-8(7)10-6;1-5-3-2-4-6-7(5)11-8(10)9-6;1-6-9-7-4-2-3-5-8(7)10-6;1-6-3-4-7(2)8-5-6;1-7-5-3-2-4-6-7/h3-7,9H,8H2,1-2H3;4-5,7-8H,3,6H2,1-2H3;4,6-8H,3,5H2,1-2H3;3-4,6-7H,2,5H2,1H3;3,5-7H,2,4H2,1H3;2*4-7H,2-3H2,1H3;3-5H,1-2H3;4,6-7H,3,5H2,1-2H3;3-5,7-8H,2,6H2,1H3;4*2-4H,1H3;2-5H,1H3,(H,9,10);2-4H,1H3,(H,9,10);2-5H,1H3;3-5H,1-2H3;2-6H,1H3.
What are the key properties of 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene?
5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene has a molecular weight of 2803.13 g/mol, XLogP of 52.47, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;1-chloro-2-propylbenzene;1-chloro-3-propylbenzene;1-chloro-4-propylbenzene;2,5-dimethylpyridine;4-fluoro-2-methyl-1,3-benzothiazole;6-fluoro-2-methyl-1,3-benzothiazole;1-fluoro-4-propylbenzene;5-methoxy-2-methyl-1,3-benzothiazole;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;7-methyl-3H-1,3-benzothiazole-2-thione;1-methyl-2-propylbenzene;1-methyl-3-propylbenzene;2-methylpropylbenzene;2-methyl-6-propylpyridine;propylbenzene;toluene is sourced from PubChem (CID 158224739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).