[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide

C21H38PSSi- — CID 134871702

IUPAC[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide
SMILESCS[Si](C)(C)[P-]c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H38PSSi/c1-19(2,3)15-13-16(20(4,5)6)18(22-24(11,12)23-10)17(14-15)21(7,8)9/h13-14H,1-12H3/q-1
InChIKeyIXZQROOHVRCYRP-UHFFFAOYSA-N
MW381.66 g/mol
LogP7.22
Rot. Bonds3

About [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide

[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide (PubChem CID 134871702) has the molecular formula C21H38PSSi- and a molecular weight of 381.66 g/mol. Its IUPAC name is [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide.

Molecular Properties

Compound Name[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide
PubChem CID134871702
Molecular FormulaC21H38PSSi-
Molecular Weight381.66 g/mol
Exact Mass381.22
IUPAC Name[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide
SMILESCS[Si](C)(C)[P-]c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C21H38PSSi/c1-19(2,3)15-13-16(20(4,5)6)18(22-24(11,12)23-10)17(14-15)21(7,8)9/h13-14H,1-12H3/q-1
InChIKeyIXZQROOHVRCYRP-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.66
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,5-tetratert-butylbenzene
CID 18679123
(2,4,6-tritert-butylphenyl)-(trimethylsilylmethylidene)phosphane
CID 12776595
6,8-ditert-butyl-2-methylquinoline
CID 167019178
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
dihydroxy-bis(2,4,6-tritert-butylphenoxy)silane
CID 101416642
[dimethyl-(2,4,6-tritert-butylphenoxy)silyl]formonitrile
CID 134900930
[2,4-ditert-butyl-6-(methylsulfanylmethyl)phenyl]phosphane
CID 100974841
CID 15962849
CID 15962849
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141
1,5-ditert-butyl-2-chloro-3-(chloromethyl)benzene
CID 163882850
(2-tert-Butoxy-4,6-di-tert-butylphenyl)oxidanyl
CID 165356532

Frequently Asked Questions

What is the IUPAC name of [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide?
The IUPAC name of [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide (CID 134871702) is [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide.
What is the SMILES notation for [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide?
The canonical SMILES for [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide is CS[Si](C)(C)[P-]c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide?
The InChIKey is IXZQROOHVRCYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38PSSi/c1-19(2,3)15-13-16(20(4,5)6)18(22-24(11,12)23-10)17(14-15)21(7,8)9/h13-14H,1-12H3/q-1.
What are the key properties of [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide?
[dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide has a molecular weight of 381.66 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(methylsulfanyl)silyl]-(2,4,6-tritert-butylphenyl)phosphanide is sourced from PubChem (CID 134871702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).