benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane

C26H24ClPS — CID 134995132

IUPACbenzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane
SMILESClP(CSCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClPS/c27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-29-21-23-13-5-1-6-14-23/h1-20H,21-22H2
InChIKeyQDOWQXJVXBFSQN-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.56
Rot. Bonds7

About benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane

benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane (PubChem CID 134995132) has the molecular formula C26H24ClPS and a molecular weight of 434.97 g/mol. Its IUPAC name is benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebenzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane
PubChem CID134995132
Molecular FormulaC26H24ClPS
Molecular Weight434.97 g/mol
Exact Mass434.10
IUPAC Namebenzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane
SMILESClP(CSCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClPS/c27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-29-21-23-13-5-1-6-14-23/h1-20H,21-22H2
InChIKeyQDOWQXJVXBFSQN-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyltriphenylphosphonium chloride
CID 70671
Benzyltriphenylphosphonium bromide
CID 2734970
Triphenyl(3-phenylpropyl)phosphonium bromide
CID 500003
Cinnamyltriphenylphosphonium bromide
CID 6364658
Phosphonium, triphenyl(3-phenyl-2-propen-1-yl)-, chloride (1:1)
CID 6436301
Sulfide, benzyl trityl
CID 245019
2,5-Diphenyl-1,4-dithiin
CID 245172
Triphenyl(phenylmethyl)phosphonium
CID 70672
Phosphorane, triphenyl(phenylmethylene)-
CID 140127
Phosphonium, triphenyl(phenylmethyl)-, iodide (1:1)
CID 197735
1,1',1''-[(Ethylsulfanyl)methanetriyl]tribenzene
CID 238259
((((Benzylthio)(diphenyl)methyl)thio)methyl)benzene
CID 245020

Frequently Asked Questions

What is the IUPAC name of benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane?
The IUPAC name of benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane (CID 134995132) is benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane.
What is the SMILES notation for benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane?
The canonical SMILES for benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane is ClP(CSCc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane?
The InChIKey is QDOWQXJVXBFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClPS/c27-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25,26-19-11-4-12-20-26)22-29-21-23-13-5-1-6-14-23/h1-20H,21-22H2.
What are the key properties of benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane?
benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane has a molecular weight of 434.97 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfanylmethyl-chloro-triphenyl-λ5-phosphane is sourced from PubChem (CID 134995132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).