1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene

C149H188Cl5F6N16O9S7-3 — CID 159860209

About 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene

1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (PubChem CID 159860209) has the molecular formula C149H188Cl5F6N16O9S7-3 and a molecular weight of 2862.97 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene.

Molecular Properties

• Compound Name: 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
• PubChem CID: 159860209
• Molecular Formula: C149H188Cl5F6N16O9S7-3
• Molecular Weight: 2862.97 g/mol
• Exact Mass: 2858.12
• IUPAC Name: 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene
• SMILES: CN1CCCCC1.CN1CCOCC1.CSc1ccc(Cl)c(C)c1.Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1F.Cc1cc(CS(=O)[O-])ccc1Cl.Cc1ccc(CS(=O)[O-])cc1.Cc1ccc(F)cc1.Cc1cccc(CS(=O)[O-])c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cncnc1C.Cc1cnoc1C.Cc1nc(C)c(C)s1.Cc1nc[nH]c1C.Cc1ncc(C)c(C)n1.Cc1nccn1C.Cc1ncsc1C.Cc1nnsc1C.Cc1noc(C)c1C
• InChI: InChI=1S/C8H9ClO2S.C8H9ClS.2C8H10O2S.C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.2C7H7F.C7H10N2.C7H8.C6H8N2.C6H9NO.C6H9NS.C6H13N.2C5H8N2.C5H11NO.C5H7NO.C5H7NS.C4H6N2S/c1-6-4-7(5-12(10)11)2-3-8(6)9;1-6-5-7(10-2)3-4-8(6)9;1-7-2-4-8(5-3-7)6-11(9)10;1-7-3-2-4-8(5-7)6-11(9)10;1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-4-8-7(3)9-6(5)2;1-7-5-3-2-4-6-7;1-5-3-7-4-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-7-5-3-2-4-6-7;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;1-6-2-4-7-5-3-6;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h2-4H,5H2,1H3,(H,10,11);3-5H,1-2H3;2*2-5H,6H2,1H3,(H,9,10);3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-5H,1H3;4H,1-3H3;2-6H,1H3;3-4H,1-2H3;2*1-3H3;2-6H2,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-5H2,1H3;2*3H,1-2H3;1-2H3/p-3
• InChIKey: NDQZYYNEXWTWLD-UHFFFAOYSA-K
• XLogP: 40.38
• TPSA: 337.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 7
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2862.97
LogP ≤ 5	40.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The IUPAC name of 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene (CID 159860209) is 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene.

What is the SMILES notation for 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The canonical SMILES for 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is CN1CCCCC1.CN1CCOCC1.CSc1ccc(Cl)c(C)c1.Cc1c(Cl)cccc1Cl.Cc1c(F)cccc1F.Cc1cc(CS(=O)[O-])ccc1Cl.Cc1ccc(CS(=O)[O-])cc1.Cc1ccc(F)cc1.Cc1cccc(CS(=O)[O-])c1.Cc1cccc(F)c1F.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cncnc1C.Cc1cnoc1C.Cc1nc(C)c(C)s1.Cc1nc[nH]c1C.Cc1ncc(C)c(C)n1.Cc1nccn1C.Cc1ncsc1C.Cc1nnsc1C.Cc1noc(C)c1C.

What is the InChIKey of 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

The InChIKey is NDQZYYNEXWTWLD-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H9ClO2S.C8H9ClS.2C8H10O2S.C8H10.C7H6Cl2.C7H7Cl.2C7H6F2.2C7H7F.C7H10N2.C7H8.C6H8N2.C6H9NO.C6H9NS.C6H13N.2C5H8N2.C5H11NO.C5H7NO.C5H7NS.C4H6N2S/c1-6-4-7(5-12(10)11)2-3-8(6)9;1-6-5-7(10-2)3-4-8(6)9;1-7-2-4-8(5-3-7)6-11(9)10;1-7-3-2-4-8(5-7)6-11(9)10;1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-4-8-7(3)9-6(5)2;1-7-5-3-2-4-6-7;1-5-3-7-4-8-6(5)2;1-4-5(2)7-8-6(4)3;1-4-5(2)8-6(3)7-4;1-7-5-3-2-4-6-7;1-5-6-3-4-7(5)2;1-4-5(2)7-3-6-4;1-6-2-4-7-5-3-6;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-3-4(2)7-6-5-3/h2-4H,5H2,1H3,(H,10,11);3-5H,1-2H3;2*2-5H,6H2,1H3,(H,9,10);3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2*2-4H,1H3;2*2-5H,1H3;4H,1-3H3;2-6H,1H3;3-4H,1-2H3;2*1-3H3;2-6H2,1H3;3-4H,1-2H3;3H,1-2H3,(H,6,7);2-5H2,1H3;2*3H,1-2H3;1-2H3/p-3.

What are the key properties of 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene?

1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene has a molecular weight of 2862.97 g/mol, XLogP of 40.38, 7 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-methylbenzene;1-chloro-2-methyl-4-methylsulfanylbenzene;(4-chloro-3-methylphenyl)methanesulfinate;1,3-dichloro-2-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-2-methylbenzene;1,2-dimethylimidazole;4,5-dimethyl-1H-imidazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylpyrimidine;4,5-dimethylthiadiazole;4,5-dimethyl-1,3-thiazole;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;4-methylmorpholine;(3-methylphenyl)methanesulfinate;(4-methylphenyl)methanesulfinate;1-methylpiperidine;toluene;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethylpyrimidine;2,4,5-trimethyl-1,3-thiazole;1,2-xylene is sourced from PubChem (CID 159860209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).