About 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea
1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea (PubChem CID 162008063) has the molecular formula C154H222N32O8P8S8
and a molecular weight of 3154.01 g/mol. Its IUPAC name is 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea.
Frequently Asked Questions
What is the IUPAC name of 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea?
The IUPAC name of 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea (CID 162008063) is 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea.
What is the SMILES notation for 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea?
The canonical SMILES for 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea is CNC(=S)NCCOP1N(C(C)C)[C@@H]2CCCC[C@H]2N1C(C)C.CNC(=S)NCCOP1N(C(C)C)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1C(C)C.CNC(=S)NCCOP1N(C(C)C)c2ccccc2N1C(C)C.CNC(=S)NCCOP1N(C)[C@@H]2CCCC[C@H]2N1C.CNC(=S)NCCOP1N(C)c2ccccc2N1C.CNC(=S)NCCOP1N(c2ccccc2)[C@@H]2CCCC[C@H]2N1c1ccccc1.CNC(=S)NCCOP1N(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1c1ccccc1.CNC(=S)NCCOP1N(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea?
The InChIKey is YTCIQAKYQPDLPD-VWCDPPBISA-N. The full InChI is InChI=1S/C30H31N4OPS.C24H35N4OPS.C22H29N4OPS.C22H23N4OPS.C16H33N4OPS.C16H27N4OPS.C12H25N4OPS.C12H19N4OPS/c1-31-30(37)32-22-23-35-36-33(26-18-10-4-11-19-26)28(24-14-6-2-7-15-24)29(25-16-8-3-9-17-25)34(36)27-20-12-5-13-21-27;1-18(2)27-22(20-12-8-6-9-13-20)23(21-14-10-7-11-15-21)28(19(3)4)30(27)29-17-16-26-24(31)25-5;2*1-23-22(29)24-16-17-27-28-25(18-10-4-2-5-11-18)20-14-8-9-15-21(20)26(28)19-12-6-3-7-13-19;2*1-12(2)19-14-8-6-7-9-15(14)20(13(3)4)22(19)21-11-10-18-16(23)17-5;2*1-13-12(19)14-8-9-17-18-15(2)10-6-4-5-7-11(10)16(18)3/h2-21,28-29H,22-23H2,1H3,(H2,31,32,37);6-15,18-19,22-23H,16-17H2,1-5H3,(H2,25,26,31);2-7,10-13,20-21H,8-9,14-17H2,1H3,(H2,23,24,29);2-15H,16-17H2,1H3,(H2,23,24,29);12-15H,6-11H2,1-5H3,(H2,17,18,23);6-9,12-13H,10-11H2,1-5H3,(H2,17,18,23);10-11H,4-9H2,1-3H3,(H2,13,14,19);4-7H,8-9H2,1-3H3,(H2,13,14,19)/t28-,29-;22-,23-;20-,21-;;14-,15-;;10-,11-;/m111.1.1./s1.
What are the key properties of 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea?
1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea has a molecular weight of 3154.01 g/mol, XLogP of 32.01, 48 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(3aR,7aR)-1,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[(3aR,7aR)-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-dimethyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[(1,3-diphenyl-1,3,2-benzodiazaphosphol-2-yl)oxy]ethyl]-3-methylthiourea;1-[2-[[(4R,5R)-4,5-diphenyl-1,3-di(propan-2-yl)-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]-3-methylthiourea;1-[2-[[1,3-di(propan-2-yl)-1,3,2-benzodiazaphosphol-2-yl]oxy]ethyl]-3-methylthiourea;1-methyl-3-[2-[[(4R,5R)-1,3,4,5-tetraphenyl-1,3,2-diazaphospholidin-2-yl]oxy]ethyl]thiourea is sourced from PubChem (CID 162008063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).