About 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate
3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 160829135) has the molecular formula C131H126Cl10FN11O2S10
and a molecular weight of 2580.72 g/mol. Its IUPAC name is 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate.
Analyze 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate (CID 160829135) is 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate is CC#Cc1cncc(-c2cc(Cl)c(C(C)C)s2)c1.CC(C)c1sc(-c2cncc(F)c2)cc1Cl.CC(C)c1sc(-c2cncnc2)cc1Cl.COC(=O)c1ccc(-c2cc(Cl)c(C(C)C)s2)[nH]1.Cc1cccc(-c2cc(Cl)c(C(C)C)s2)c1.Cc1cncc(-c2cc(Cl)c(C(C)C)s2)c1.Cc1cncc(-c2cc(Cl)c(C)s2)c1.[C-]#[N+]c1cc(C)cc(-c2cc(Cl)c(C(C)C)s2)c1.[C-]#[N+]c1cccc(-c2cc(Cl)c(C(C)C)s2)c1.[C-]#[N+]c1cncc(-c2cc(Cl)c(C(C)C)s2)c1.
What is the InChIKey of 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is SGOKVGFGOUNQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14ClNS.C14H12ClNS.C14H15ClS.C13H11ClN2S.C13H14ClNO2S.C13H14ClNS.C12H11ClFNS.C11H11ClN2S.C11H10ClNS/c1-9(2)15-13(16)8-14(18-15)11-5-10(3)6-12(7-11)17-4;1-4-5-11-6-12(9-17-8-11)14-7-13(16)15(18-14)10(2)3;1-9(2)14-12(15)8-13(17-14)10-5-4-6-11(7-10)16-3;1-9(2)14-12(15)8-13(16-14)11-6-4-5-10(3)7-11;1-8(2)13-11(14)5-12(17-13)9-4-10(15-3)7-16-6-9;1-7(2)12-8(14)6-11(18-12)9-4-5-10(15-9)13(16)17-3;1-8(2)13-11(14)5-12(16-13)10-4-9(3)6-15-7-10;1-7(2)12-10(13)4-11(16-12)8-3-9(14)6-15-5-8;1-7(2)11-9(12)3-10(15-11)8-4-13-6-14-5-8;1-7-3-9(6-13-5-7)11-4-10(12)8(2)14-11/h5-9H,1-3H3;6-10H,1-3H3;4-9H,1-2H3;4-9H,1-3H3;4-8H,1-2H3;4-7,15H,1-3H3;4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate?
3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 2580.72 g/mol, XLogP of 49.38, 20 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3-isocyano-5-methylphenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-isocyanophenyl)-2-propan-2-ylthiophene;3-chloro-5-(3-methylphenyl)-2-propan-2-ylthiophene;3-(4-chloro-5-methylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-fluoropyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-isocyanopyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-methylpyridine;3-(4-chloro-5-propan-2-ylthiophen-2-yl)-5-prop-1-ynylpyridine;5-(4-chloro-5-propan-2-ylthiophen-2-yl)pyrimidine;methyl 5-(4-chloro-5-propan-2-ylthiophen-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 160829135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).