[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane

C16H27PS — CID 100974841

IUPAC[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane
SMILESCSCc1cc(C(C)(C)C)cc(C(C)(C)C)c1P
InChIInChI=1S/C16H27PS/c1-15(2,3)12-8-11(10-18-7)14(17)13(9-12)16(4,5)6/h8-9H,10,17H2,1-7H3
InChIKeyZZGZKUYITRHHBM-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.64
Rot. Bonds2

About [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane

[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane (PubChem CID 100974841) has the molecular formula C16H27PS and a molecular weight of 282.43 g/mol. Its IUPAC name is [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane
PubChem CID100974841
Molecular FormulaC16H27PS
Molecular Weight282.43 g/mol
Exact Mass282.16
IUPAC Name[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane
SMILESCSCc1cc(C(C)(C)C)cc(C(C)(C)C)c1P
InChIInChI=1S/C16H27PS/c1-15(2,3)12-8-11(10-18-7)14(17)13(9-12)16(4,5)6/h8-9H,10,17H2,1-7H3
InChIKeyZZGZKUYITRHHBM-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.64
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

5-tert-butyl-3-(methylsulfanylmethyl)benzene-1,2-diol
CID 101177589
4-tert-butyl-2-chloro-6-(methylsulfanylmethyl)aniline
CID 19046449
CID 11308565
CID 11308565
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
1,2,3,5-tetratert-butylbenzene
CID 18679123
2,4-ditert-butyl-6-(cyclohexylsulfanylmethyl)phenol
CID 102028542
propyl-(2,4,6-tritert-butylphenyl)phosphane
CID 16697508
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
2-butyl-4,6-ditert-butylaniline
CID 167227063
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
bis(2,4-ditert-butyl-6-[2-[(3,5-ditert-butyl-2-oxidophenyl)methylsulfanyl]ethylsulfanylmethyl]phenolate);hexane;tetrakis(2-methylpropan-2-olate);bis(zirconium(4+))
CID 139141575

Frequently Asked Questions

What is the IUPAC name of [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane?
The IUPAC name of [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane (CID 100974841) is [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane.
What is the SMILES notation for [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane?
The canonical SMILES for [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane is CSCc1cc(C(C)(C)C)cc(C(C)(C)C)c1P.
What is the InChIKey of [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane?
The InChIKey is ZZGZKUYITRHHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27PS/c1-15(2,3)12-8-11(10-18-7)14(17)13(9-12)16(4,5)6/h8-9H,10,17H2,1-7H3.
What are the key properties of [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane?
[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane has a molecular weight of 282.43 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane is sourced from PubChem (CID 100974841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).