bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

C108H119Cl2N15O6S12 — CID 160814401

IUPACbis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC.C.CC(=O)c1sccc1/N=C/C=S.CC(=O)c1sccc1/N=C/C=S.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CC2CC2)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2cccnc2)c1.NCC1CC1.NCc1cccnc1.O=c1c2sccc2[nH]c(=S)n1CC1CC1.O=c1c2sccc2[nH]c(=S)n1Cc1cccnc1
InChIInChI=1S/C21H19N3OS2.C19H20N2OS2.C12H9N3OS2.C10H10N2OS2.2C9H11Cl.2C8H7NOS2.C6H8N2.C4H9N.2CH4/c1-14-5-6-15(2)17(10-14)13-27-21-23-18-7-9-26-19(18)20(25)24(21)12-16-4-3-8-22-11-16;1-12-3-4-13(2)15(9-12)11-24-19-20-16-7-8-23-17(16)18(22)21(19)10-14-5-6-14;16-11-10-9(3-5-18-10)14-12(17)15(11)7-8-2-1-4-13-6-8;13-9-8-7(3-4-15-8)11-10(14)12(9)5-6-1-2-6;2*1-7-3-4-8(2)9(5-7)6-10;2*1-6(10)8-7(2-5-12-8)9-3-4-11;7-4-6-2-1-3-8-5-6;5-3-4-1-2-4;;/h3-11H,12-13H2,1-2H3;3-4,7-9,14H,5-6,10-11H2,1-2H3;1-6H,7H2,(H,14,17);3-4,6H,1-2,5H2,(H,11,14);2*3-5H,6H2,1-2H3;2*2-5H,1H3;1-3,5H,4,7H2;4H,1-3,5H2;2*1H4/b;;;;;;2*9-3+;;;;
InChIKeySESHDOXGFMNZNN-APOADTSMSA-N
MW2178.95 g/mol
LogP28.24
Rot. Bonds24

About bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 160814401) has the molecular formula C108H119Cl2N15O6S12 and a molecular weight of 2178.95 g/mol. Its IUPAC name is bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Namebis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
PubChem CID160814401
Molecular FormulaC108H119Cl2N15O6S12
Molecular Weight2178.95 g/mol
Exact Mass2175.55
IUPAC Namebis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
SMILESC.C.CC(=O)c1sccc1/N=C/C=S.CC(=O)c1sccc1/N=C/C=S.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CC2CC2)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2cccnc2)c1.NCC1CC1.NCc1cccnc1.O=c1c2sccc2[nH]c(=S)n1CC1CC1.O=c1c2sccc2[nH]c(=S)n1Cc1cccnc1
InChIInChI=1S/C21H19N3OS2.C19H20N2OS2.C12H9N3OS2.C10H10N2OS2.2C9H11Cl.2C8H7NOS2.C6H8N2.C4H9N.2CH4/c1-14-5-6-15(2)17(10-14)13-27-21-23-18-7-9-26-19(18)20(25)24(21)12-16-4-3-8-22-11-16;1-12-3-4-13(2)15(9-12)11-24-19-20-16-7-8-23-17(16)18(22)21(19)10-14-5-6-14;16-11-10-9(3-5-18-10)14-12(17)15(11)7-8-2-1-4-13-6-8;13-9-8-7(3-4-15-8)11-10(14)12(9)5-6-1-2-6;2*1-7-3-4-8(2)9(5-7)6-10;2*1-6(10)8-7(2-5-12-8)9-3-4-11;7-4-6-2-1-3-8-5-6;5-3-4-1-2-4;;/h3-11H,12-13H2,1-2H3;3-4,7-9,14H,5-6,10-11H2,1-2H3;1-6H,7H2,(H,14,17);3-4,6H,1-2,5H2,(H,11,14);2*3-5H,6H2,1-2H3;2*2-5H,1H3;1-3,5H,4,7H2;4H,1-3,5H2;2*1H4/b;;;;;;2*9-3+;;;;
InChIKeySESHDOXGFMNZNN-APOADTSMSA-N
XLogP28.24
TPSA294.93 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002178.95
LogP ≤ 528.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one (CID 160814401) is bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is C.C.CC(=O)c1sccc1/N=C/C=S.CC(=O)c1sccc1/N=C/C=S.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CCl)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CC2CC2)c1.Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2cccnc2)c1.NCC1CC1.NCc1cccnc1.O=c1c2sccc2[nH]c(=S)n1CC1CC1.O=c1c2sccc2[nH]c(=S)n1Cc1cccnc1.
What is the InChIKey of bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SESHDOXGFMNZNN-APOADTSMSA-N. The full InChI is InChI=1S/C21H19N3OS2.C19H20N2OS2.C12H9N3OS2.C10H10N2OS2.2C9H11Cl.2C8H7NOS2.C6H8N2.C4H9N.2CH4/c1-14-5-6-15(2)17(10-14)13-27-21-23-18-7-9-26-19(18)20(25)24(21)12-16-4-3-8-22-11-16;1-12-3-4-13(2)15(9-12)11-24-19-20-16-7-8-23-17(16)18(22)21(19)10-14-5-6-14;16-11-10-9(3-5-18-10)14-12(17)15(11)7-8-2-1-4-13-6-8;13-9-8-7(3-4-15-8)11-10(14)12(9)5-6-1-2-6;2*1-7-3-4-8(2)9(5-7)6-10;2*1-6(10)8-7(2-5-12-8)9-3-4-11;7-4-6-2-1-3-8-5-6;5-3-4-1-2-4;;/h3-11H,12-13H2,1-2H3;3-4,7-9,14H,5-6,10-11H2,1-2H3;1-6H,7H2,(H,14,17);3-4,6H,1-2,5H2,(H,11,14);2*3-5H,6H2,1-2H3;2*2-5H,1H3;1-3,5H,4,7H2;4H,1-3,5H2;2*1H4/b;;;;;;2*9-3+;;;;.
What are the key properties of bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one?
bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 2178.95 g/mol, XLogP of 28.24, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-acetylthiophen-3-yl)iminoethanethial);bis(2-(chloromethyl)-1,4-dimethylbenzene);cyclopropylmethanamine;3-(cyclopropylmethyl)-2-[(2,5-dimethylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one;3-(cyclopropylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one;2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one;methane;pyridin-3-ylmethanamine;3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 160814401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).