1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea

C23H34N2OP2S2 — CID 15105655

IUPAC1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(=S)(c1ccccc1)C(C)(C)C)P(=S)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2S2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyCWOGZMGPFJRLRX-UHFFFAOYSA-N
MW480.62 g/mol
LogP6.01
Rot. Bonds4

About 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea

1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea (PubChem CID 15105655) has the molecular formula C23H34N2OP2S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea
PubChem CID15105655
Molecular FormulaC23H34N2OP2S2
Molecular Weight480.62 g/mol
Exact Mass480.16
IUPAC Name1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea
SMILESCN(C(=O)N(C)P(=S)(c1ccccc1)C(C)(C)C)P(=S)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34N2OP2S2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyCWOGZMGPFJRLRX-UHFFFAOYSA-N
XLogP6.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
2-Fluoro-1,3-dimethyl-2,2-diphenyl-1,3,2lambda5-diazaphosphetidin-4-one
CID 21732319
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
1,3-Bis[tert-butyl(phenyl)phosphinoselenoyl]-1,3-dimethylurea
CID 15105656
Urea, N,N'-bis(diphenylphosphino)-N,N'-dimethyl-
CID 12127075
1,1-Dimethyl-3-(triphenyl-lambda5-phosphanylidene)urea
CID 23417824

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea?
The IUPAC name of 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea (CID 15105655) is 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea.
What is the SMILES notation for 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea?
The canonical SMILES for 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea is CN(C(=O)N(C)P(=S)(c1ccccc1)C(C)(C)C)P(=S)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea?
The InChIKey is CWOGZMGPFJRLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2OP2S2/c1-22(2,3)27(29,19-15-11-9-12-16-19)24(7)21(26)25(8)28(30,23(4,5)6)20-17-13-10-14-18-20/h9-18H,1-8H3.
What are the key properties of 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea?
1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea has a molecular weight of 480.62 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[tert-butyl(phenyl)phosphinothioyl]-1,3-dimethylurea is sourced from PubChem (CID 15105655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).