dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride

C86H100Cl5N17O10S5 — CID 157095908

About dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride

dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride (PubChem CID 157095908) has the molecular formula C86H100Cl5N17O10S5 and a molecular weight of 1869.45 g/mol. Its IUPAC name is dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride.

Molecular Properties

• Compound Name: dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride
• PubChem CID: 157095908
• Molecular Formula: C86H100Cl5N17O10S5
• Molecular Weight: 1869.45 g/mol
• Exact Mass: 1865.49
• IUPAC Name: dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride
• SMILES: CC(=O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.ClCCl.NC(=O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=C(Cl)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=C(O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=S(Cl)Cl
• InChI: InChI=1S/C22H26N4O2S.C21H23ClN4O2S.C21H25N5O2S.C21H24N4O3S.CH2Cl2.Cl2OS/c1-14(27)15-2-7-19-18(12-15)20-21(23-13-24-22(20)29-19)25-16-3-5-17(6-4-16)26-8-10-28-11-9-26;2*22-19(27)13-1-6-17-16(11-13)18-20(23-12-24-21(18)29-17)25-14-2-4-15(5-3-14)26-7-9-28-10-8-26;26-21(27)13-1-6-17-16(11-13)18-19(22-12-23-20(18)29-17)24-14-2-4-15(5-3-14)25-7-9-28-10-8-25;2-1-3;1-4(2)3/h2,7,12-13,16-17H,3-6,8-11H2,1H3,(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H2,22,27)(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H,26,27)(H,22,23,24);1H2
• InChIKey: AFEZMGPZDWMHHP-UHFFFAOYSA-N
• XLogP: 17.44
• TPSA: 332.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1869.45
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride?

The IUPAC name of dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride (CID 157095908) is dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride.

What is the SMILES notation for dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride?

The canonical SMILES for dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride is CC(=O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.ClCCl.NC(=O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=C(Cl)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=C(O)c1ccc2sc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2c1.O=S(Cl)Cl.

What is the InChIKey of dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride?

The InChIKey is AFEZMGPZDWMHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S.C21H23ClN4O2S.C21H25N5O2S.C21H24N4O3S.CH2Cl2.Cl2OS/c1-14(27)15-2-7-19-18(12-15)20-21(23-13-24-22(20)29-19)25-16-3-5-17(6-4-16)26-8-10-28-11-9-26;2*22-19(27)13-1-6-17-16(11-13)18-20(23-12-24-21(18)29-17)25-14-2-4-15(5-3-14)26-7-9-28-10-8-26;26-21(27)13-1-6-17-16(11-13)18-19(22-12-23-20(18)29-17)24-14-2-4-15(5-3-14)25-7-9-28-10-8-25;2-1-3;1-4(2)3/h2,7,12-13,16-17H,3-6,8-11H2,1H3,(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H2,22,27)(H,23,24,25);1,6,11-12,14-15H,2-5,7-10H2,(H,26,27)(H,22,23,24);1H2;.

What are the key properties of dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride?

dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride has a molecular weight of 1869.45 g/mol, XLogP of 17.44, 16 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carbonyl chloride;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxamide;4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidine-6-carboxylic acid;1-[4-[(4-morpholin-4-ylcyclohexyl)amino]-[1]benzothiolo[2,3-d]pyrimidin-6-yl]ethanone;thionyl dichloride is sourced from PubChem (CID 157095908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).