3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene

C58H70Cl2N6OS3 — CID 157210482

IUPAC3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
SMILESCCc1ccsc1.Cc1cc(C)[nH]n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1Cl.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1csc(C)c1Cl
InChIInChI=1S/C7H8.C6H6ClN.C6H7ClS.3C6H7N.C6H8S.C5H8N2.C5H6O.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-8-6(5)7;1-4-3-8-5(2)6(4)7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-6-3-4-7-5-6;1-4-3-5(2)7-6-4;2*1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3;3H,1-2H3;3*2-5H,1H3;3-5H,2H2,1H3;3H,1-2H3,(H,6,7);2*2-4H,1H3
InChIKeyARVJONUPPMYJCL-UHFFFAOYSA-N
MW1034.35 g/mol
LogP18.21
Rot. Bonds1

About 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene

3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene (PubChem CID 157210482) has the molecular formula C58H70Cl2N6OS3 and a molecular weight of 1034.35 g/mol. Its IUPAC name is 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene.

Molecular Properties

Compound Name3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
PubChem CID157210482
Molecular FormulaC58H70Cl2N6OS3
Molecular Weight1034.35 g/mol
Exact Mass1032.42
IUPAC Name3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene
SMILESCCc1ccsc1.Cc1cc(C)[nH]n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1Cl.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1csc(C)c1Cl
InChIInChI=1S/C7H8.C6H6ClN.C6H7ClS.3C6H7N.C6H8S.C5H8N2.C5H6O.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-8-6(5)7;1-4-3-8-5(2)6(4)7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-6-3-4-7-5-6;1-4-3-5(2)7-6-4;2*1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3;3H,1-2H3;3*2-5H,1H3;3-5H,2H2,1H3;3H,1-2H3,(H,6,7);2*2-4H,1H3
InChIKeyARVJONUPPMYJCL-UHFFFAOYSA-N
XLogP18.21
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.35
LogP ≤ 518.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157071553
2,3-Di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)thiophene;1-methyl-4,5-di(propan-2-yl)pyrazole
CID 157125478
cumene;2-propan-2-yl-1-benzofuran;2-propan-2-ylfuran;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 157157091
1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;1,4-xylene
CID 157225889
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 157291123
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;2,5-dimethylfuran;1,4-dimethylpiperazine;1,4-dimethylpiperidine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 157772946
bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(2,3-dimethyl-1H-pyrrole);3,4-dimethyl-1H-pyrrole;bis(2,3-dimethylthiophene)
CID 158240059
2-Tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-6-methylpyridazine;2-tert-butyl-5-methylpyridine;2-tert-butyl-4-methylthiophene;2,4-dimethylfuran;2,5-dimethylfuran;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,3,5-trimethylfuran;3,4,6-trimethylpyridazine;2,4,5-trimethylpyridine
CID 158250803
2,5-dimethylfuran;3,5-dimethyl-1H-pyrazole;tris(2,5-dimethylpyridine);2,6-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;1,3-xylene;bis(1,4-xylene)
CID 159235788
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;3,5-dimethyl-1H-pyrazole;bis(2,5-dimethylpyridine);2,5-dimethylthiophene;2-methylfuran;1,4-xylene
CID 159275832
[5-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrazol-1-yl]-thiophen-2-ylmethanone;5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole
CID 160061426
cumene;methane;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160067285

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene?
The IUPAC name of 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene (CID 157210482) is 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene.
What is the SMILES notation for 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene?
The canonical SMILES for 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene is CCc1ccsc1.Cc1cc(C)[nH]n1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnc1Cl.Cc1ccco1.Cc1cccs1.Cc1ccncc1.Cc1csc(C)c1Cl.
What is the InChIKey of 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene?
The InChIKey is ARVJONUPPMYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C6H6ClN.C6H7ClS.3C6H7N.C6H8S.C5H8N2.C5H6O.C5H6S/c1-7-5-3-2-4-6-7;1-5-3-2-4-8-6(5)7;1-4-3-8-5(2)6(4)7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-6-3-4-7-5-6;1-4-3-5(2)7-6-4;2*1-5-3-2-4-6-5/h2-6H,1H3;2-4H,1H3;3H,1-2H3;3*2-5H,1H3;3-5H,2H2,1H3;3H,1-2H3,(H,6,7);2*2-4H,1H3.
What are the key properties of 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene?
3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene has a molecular weight of 1034.35 g/mol, XLogP of 18.21, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethylthiophene;2-chloro-3-methylpyridine;3,5-dimethyl-1H-pyrazole;3-ethylthiophene;2-methylfuran;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;toluene is sourced from PubChem (CID 157210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).