dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane

C239H344F34NO31S19+7 — CID 159977223

About dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane

dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane (PubChem CID 159977223) has the molecular formula C239H344F34NO31S19+7 and a molecular weight of 4982.56 g/mol. Its IUPAC name is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane.

Molecular Properties

• Compound Name: dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane
• PubChem CID: 159977223
• Molecular Formula: C239H344F34NO31S19+7
• Molecular Weight: 4982.56 g/mol
• Exact Mass: 4977.95
• IUPAC Name: dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane
• SMILES: CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
• InChI: InChI=1S/2C32H57OS.C24H41OS.C21H35OS.C18H24F8O5S.C17H23OS.C16H25OS.C15H21O2S.C11H21OS.3C7H4F4O3S.4C6H6S.C5H4F8O4S.C3HF6NO4S2/c2*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;19-15(20,16(21,22)29-17(23,24)18(25,26)32-31-30-27)2-1-3-28-10-14-7-11-4-12(8-14)6-13(5-11)9-14;18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;3*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;4*7-6-4-2-1-3-5-6;1-2(6,7)3(8,9)15-4(10,11)5(12,13)18-17-16-14;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;11-13,27H,1-10H2;1,3-4,9-10H,2,5-8,11-14H2;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;9H,5-8H2,1-4H3;3*12H,1H3;4*1-5,7H;14H,1H3;10H/q4*+1;;4*+1;;;;;;;;;/p-1
• InChIKey: OFHRIDUKPIINFW-UHFFFAOYSA-M
• XLogP: 64.48
• TPSA: 461.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 124
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4982.56
LogP ≤ 5	64.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane?

The IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane (CID 159977223) is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane.

What is the SMILES notation for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane?

The canonical SMILES for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane is CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.

What is the InChIKey of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane?

The InChIKey is OFHRIDUKPIINFW-UHFFFAOYSA-M. The full InChI is InChI=1S/2C32H57OS.C24H41OS.C21H35OS.C18H24F8O5S.C17H23OS.C16H25OS.C15H21O2S.C11H21OS.3C7H4F4O3S.4C6H6S.C5H4F8O4S.C3HF6NO4S2/c2*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;19-15(20,16(21,22)29-17(23,24)18(25,26)32-31-30-27)2-1-3-28-10-14-7-11-4-12(8-14)6-13(5-11)9-14;18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;3*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;4*7-6-4-2-1-3-5-6;1-2(6,7)3(8,9)15-4(10,11)5(12,13)18-17-16-14;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;11-13,27H,1-10H2;1,3-4,9-10H,2,5-8,11-14H2;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;9H,5-8H2,1-4H3;3*12H,1H3;4*1-5,7H;14H,1H3;10H/q4*+1;;4*+1;;;;;;;;;/p-1.

What are the key properties of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane?

dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane has a molecular weight of 4982.56 g/mol, XLogP of 64.48, 124 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane is sourced from PubChem (CID 159977223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).