benzyl-ditert-butyl-sulfanylidene-λ5-phosphane

C15H25PS — CID 175377424

IUPACbenzyl-ditert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25PS/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyCOZORSWNOKDQIN-UHFFFAOYSA-N
MW268.41 g/mol
LogP5.26
Rot. Bonds2

About benzyl-ditert-butyl-sulfanylidene-λ5-phosphane

benzyl-ditert-butyl-sulfanylidene-λ5-phosphane (PubChem CID 175377424) has the molecular formula C15H25PS and a molecular weight of 268.41 g/mol. Its IUPAC name is benzyl-ditert-butyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebenzyl-ditert-butyl-sulfanylidene-λ5-phosphane
PubChem CID175377424
Molecular FormulaC15H25PS
Molecular Weight268.41 g/mol
Exact Mass268.14
IUPAC Namebenzyl-ditert-butyl-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)P(=S)(Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C15H25PS/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3
InChIKeyCOZORSWNOKDQIN-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.41
LogP ≤ 55.26
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

[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
benzyl-ditert-butyl-ditert-butylphosphanylphosphanylidene-lambda5-phosphane
CID 15264582
benzyl-methoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 598912
2,2-bis(dibenzylphosphoryl)propanoic acid
CID 23103485
2-benzylsulfanyl-N-(2-dimethylphosphinothioylethyl)-2-methylpropan-1-amine
CID 19024931
2,2-dimethylpropane;phenylmethanamine
CID 158787980
trizinc;(benzyldisulfanyl)methylbenzene;dithiophosphate
CID 175857354
benzyl(ditert-butyl)azanium
CID 58320117
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
ethylbenzene;2-methylpropan-2-amine
CID 142271167
[tert-butyl(2-phenylethyl)phosphoryl]-phenylmethanone
CID 141016492

Frequently Asked Questions

What is the IUPAC name of benzyl-ditert-butyl-sulfanylidene-λ5-phosphane?
The IUPAC name of benzyl-ditert-butyl-sulfanylidene-λ5-phosphane (CID 175377424) is benzyl-ditert-butyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for benzyl-ditert-butyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for benzyl-ditert-butyl-sulfanylidene-λ5-phosphane is CC(C)(C)P(=S)(Cc1ccccc1)C(C)(C)C.
What is the InChIKey of benzyl-ditert-butyl-sulfanylidene-λ5-phosphane?
The InChIKey is COZORSWNOKDQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25PS/c1-14(2,3)16(17,15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3.
What are the key properties of benzyl-ditert-butyl-sulfanylidene-λ5-phosphane?
benzyl-ditert-butyl-sulfanylidene-λ5-phosphane has a molecular weight of 268.41 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ditert-butyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 175377424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).