thiourea;triphenylphosphane

C19H19N2PS — CID 21285879

IUPACthiourea;triphenylphosphane
SMILESNC(N)=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH4N2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3)4/h1-15H;(H4,2,3,4)
InChIKeyFUVGPSUWPMCZNP-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.63
Rot. Bonds3

About thiourea;triphenylphosphane

thiourea;triphenylphosphane (PubChem CID 21285879) has the molecular formula C19H19N2PS and a molecular weight of 338.42 g/mol. Its IUPAC name is thiourea;triphenylphosphane.

Molecular Properties

Compound Namethiourea;triphenylphosphane
PubChem CID21285879
Molecular FormulaC19H19N2PS
Molecular Weight338.42 g/mol
Exact Mass338.10
IUPAC Namethiourea;triphenylphosphane
SMILESNC(N)=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.CH4N2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3)4/h1-15H;(H4,2,3,4)
InChIKeyFUVGPSUWPMCZNP-UHFFFAOYSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.63
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

triphenylphosphane
CID 139056248
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
palladium;bis(triphenylphosphane)
CID 10122028
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of thiourea;triphenylphosphane?
The IUPAC name of thiourea;triphenylphosphane (CID 21285879) is thiourea;triphenylphosphane.
What is the SMILES notation for thiourea;triphenylphosphane?
The canonical SMILES for thiourea;triphenylphosphane is NC(N)=S.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of thiourea;triphenylphosphane?
The InChIKey is FUVGPSUWPMCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.CH4N2S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3)4/h1-15H;(H4,2,3,4).
What are the key properties of thiourea;triphenylphosphane?
thiourea;triphenylphosphane has a molecular weight of 338.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for thiourea;triphenylphosphane is sourced from PubChem (CID 21285879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).