2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea

C46H51ClN8O2P2S2 — CID 162248290

About 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea

2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea (PubChem CID 162248290) has the molecular formula C46H51ClN8O2P2S2 and a molecular weight of 909.50 g/mol. Its IUPAC name is 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea.

Molecular Properties

• Compound Name: 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea
• PubChem CID: 162248290
• Molecular Formula: C46H51ClN8O2P2S2
• Molecular Weight: 909.50 g/mol
• Exact Mass: 908.27
• IUPAC Name: 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea
• SMILES: ClP1N(c2ccccc2)CCN1c1ccccc1.OCCNC(=S)Nc1ccccc1.S=C(NCCOP1N(c2ccccc2)CCN1c1ccccc1)Nc1ccccc1
• InChI: InChI=1S/C23H25N4OPS.C14H14ClN2P.C9H12N2OS/c30-23(25-20-10-4-1-5-11-20)24-16-19-28-29-26(21-12-6-2-7-13-21)17-18-27(29)22-14-8-3-9-15-22;15-18-16(13-7-3-1-4-8-13)11-12-17(18)14-9-5-2-6-10-14;12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-15H,16-19H2,(H2,24,25,30);1-10H,11-12H2;1-5,12H,6-7H2,(H2,10,11,13)
• InChIKey: ZXQIQYAHFBCEPX-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 90.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.50
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea?

The IUPAC name of 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea (CID 162248290) is 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea.

What is the SMILES notation for 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea?

The canonical SMILES for 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea is ClP1N(c2ccccc2)CCN1c1ccccc1.OCCNC(=S)Nc1ccccc1.S=C(NCCOP1N(c2ccccc2)CCN1c1ccccc1)Nc1ccccc1.

What is the InChIKey of 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea?

The InChIKey is ZXQIQYAHFBCEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N4OPS.C14H14ClN2P.C9H12N2OS/c30-23(25-20-10-4-1-5-11-20)24-16-19-28-29-26(21-12-6-2-7-13-21)17-18-27(29)22-14-8-3-9-15-22;15-18-16(13-7-3-1-4-8-13)11-12-17(18)14-9-5-2-6-10-14;12-7-6-10-9(13)11-8-4-2-1-3-5-8/h1-15H,16-19H2,(H2,24,25,30);1-10H,11-12H2;1-5,12H,6-7H2,(H2,10,11,13).

What are the key properties of 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea?

2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea has a molecular weight of 909.50 g/mol, XLogP of 10.69, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1,3-diphenyl-1,3,2-diazaphospholidine;1-[2-[(1,3-diphenyl-1,3,2-diazaphospholidin-2-yl)oxy]ethyl]-3-phenylthiourea;1-(2-hydroxyethyl)-3-phenylthiourea is sourced from PubChem (CID 162248290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).