diphenylphosphanylthiourea

C13H13N2PS — CID 11467905

IUPACdiphenylphosphanylthiourea
SMILESNC(=S)NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2PS/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15,17)
InChIKeyINYCFMGKDBZXRA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.87
Rot. Bonds3

About diphenylphosphanylthiourea

diphenylphosphanylthiourea (PubChem CID 11467905) has the molecular formula C13H13N2PS and a molecular weight of 260.30 g/mol. Its IUPAC name is diphenylphosphanylthiourea.

Molecular Properties

Compound Namediphenylphosphanylthiourea
PubChem CID11467905
Molecular FormulaC13H13N2PS
Molecular Weight260.30 g/mol
Exact Mass260.05
IUPAC Namediphenylphosphanylthiourea
SMILESNC(=S)NP(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13N2PS/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15,17)
InChIKeyINYCFMGKDBZXRA-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(diphenylphosphanyl)thiourea
CID 11189990
thiourea;triphenylphosphane
CID 21285879
N-diphenylphosphanyl-4-methylbenzamide
CID 102381455
N-diphenylphosphanylmethanamine
CID 11365917
sodium;hydride;phenylthiourea
CID 174376840
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
chromium;N-diphenylphosphanylpropan-2-amine;trihydrochloride
CID 175534500
phenol;thiourea
CID 88698794
thiourea;triphenylene
CID 134360806
sodium;benzylthiourea;hydride
CID 173079334
[(1R)-1-phenylethyl]thiourea
CID 696701
aminothiourea;benzenesulfonylbenzene
CID 159260288

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylthiourea?
The IUPAC name of diphenylphosphanylthiourea (CID 11467905) is diphenylphosphanylthiourea.
What is the SMILES notation for diphenylphosphanylthiourea?
The canonical SMILES for diphenylphosphanylthiourea is NC(=S)NP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanylthiourea?
The InChIKey is INYCFMGKDBZXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2PS/c14-13(17)15-16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H3,14,15,17).
What are the key properties of diphenylphosphanylthiourea?
diphenylphosphanylthiourea has a molecular weight of 260.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylthiourea is sourced from PubChem (CID 11467905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).