benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)

C123H173Cl4N7S3 — CID 161330055

IUPACbenzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ncc(Cl)cn1.CC(C)c1ncc(Cl)s1.CSc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.c1ccccc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C9H12.2C8H10ClN.C8H10S.6C8H10.C7H9ClN2.C6H8ClNS.C6H6.C4H4S.4C4H10.C3H4N2/c1-7-4-5-8(2)9(3)6-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-7-3-5-8(9-2)6-4-7;5*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5(2)7-9-3-6(8)4-10-7;1-4(2)6-8-3-5(7)9-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1/h4-6H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;6*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-6H;1-4H;4*4H,1-3H3;1-3H,(H,4,5)
InChIKeyVLHJFOTXSWIOGW-UHFFFAOYSA-N
MW1987.80 g/mol
LogP40.53
Rot. Bonds5

About benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)

benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) (PubChem CID 161330055) has the molecular formula C123H173Cl4N7S3 and a molecular weight of 1987.80 g/mol. Its IUPAC name is benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene).

Molecular Properties

Compound Namebenzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)
PubChem CID161330055
Molecular FormulaC123H173Cl4N7S3
Molecular Weight1987.80 g/mol
Exact Mass1984.17
IUPAC Namebenzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ncc(Cl)cn1.CC(C)c1ncc(Cl)s1.CSc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.c1ccccc1.c1ccsc1.c1cn[nH]c1
InChIInChI=1S/C9H12.2C8H10ClN.C8H10S.6C8H10.C7H9ClN2.C6H8ClNS.C6H6.C4H4S.4C4H10.C3H4N2/c1-7-4-5-8(2)9(3)6-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-7-3-5-8(9-2)6-4-7;5*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5(2)7-9-3-6(8)4-10-7;1-4(2)6-8-3-5(7)9-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1/h4-6H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;6*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-6H;1-4H;4*4H,1-3H3;1-3H,(H,4,5)
InChIKeyVLHJFOTXSWIOGW-UHFFFAOYSA-N
XLogP40.53
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001987.80
LogP ≤ 540.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) with MolForge

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Related Compounds

N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 161250920
4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160390876
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160948203

Frequently Asked Questions

What is the IUPAC name of benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)?
The IUPAC name of benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) (CID 161330055) is benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene).
What is the SMILES notation for benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)?
The canonical SMILES for benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(Cl)nc1.CC(C)c1ncc(Cl)cn1.CC(C)c1ncc(Cl)s1.CSc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1cccc(C)c1.c1ccccc1.c1ccsc1.c1cn[nH]c1.
What is the InChIKey of benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)?
The InChIKey is VLHJFOTXSWIOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C8H10ClN.C8H10S.6C8H10.C7H9ClN2.C6H8ClNS.C6H6.C4H4S.4C4H10.C3H4N2/c1-7-4-5-8(2)9(3)6-7;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-7-3-5-8(9-2)6-4-7;5*1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-5(2)7-9-3-6(8)4-10-7;1-4(2)6-8-3-5(7)9-6;1-2-4-6-5-3-1;1-2-4-5-3-1;4*1-4(2)3;1-2-4-5-3-1/h4-6H,1-3H3;2*3-6H,1-2H3;3-6H,1-2H3;6*3-6H,1-2H3;3-5H,1-2H3;3-4H,1-2H3;1-6H;1-4H;4*4H,1-3H3;1-3H,(H,4,5).
What are the key properties of benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)?
benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) has a molecular weight of 1987.80 g/mol, XLogP of 40.53, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene) is sourced from PubChem (CID 161330055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).