[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane

C29H29PS2 — CID 139171150

IUPAC[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane
SMILESCC(CSc1ccccc1)(CSc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29PS2/c1-29(23-31-27-18-10-4-11-19-27,24-32-28-20-12-5-13-21-28)22-30(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3
InChIKeyCSBYFEFGCSAPIX-UHFFFAOYSA-N
MW472.66 g/mol
LogP7.71
Rot. Bonds10

About [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane

[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane (PubChem CID 139171150) has the molecular formula C29H29PS2 and a molecular weight of 472.66 g/mol. Its IUPAC name is [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane
PubChem CID139171150
Molecular FormulaC29H29PS2
Molecular Weight472.66 g/mol
Exact Mass472.14
IUPAC Name[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane
SMILESCC(CSc1ccccc1)(CSc1ccccc1)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29PS2/c1-29(23-31-27-18-10-4-11-19-27,24-32-28-20-12-5-13-21-28)22-30(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3
InChIKeyCSBYFEFGCSAPIX-UHFFFAOYSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;chromium;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
CID 134898996
(3-diphenylphosphanyl-2,2-dimethylpropyl)-diphenylphosphane;methane
CID 159058846
ethane;3-methyl-4-phenylsulfanyl-3-(phenylsulfanylmethyl)butan-1-ol
CID 143258687
[2,2-bis(diphenylphosphanylmethyl)-3,3-dimethylbutyl]-diphenylphosphane
CID 59318614
[2-(diphenylphosphanylmethyl)-2-ethylbutyl]-diphenylphosphane
CID 22052782
2,2-dimethylpropyl(diphenyl)phosphane;formaldehyde;rhodium
CID 88689211
(2S)-2-phenyl-1-phenylsulfanylpropan-2-ol
CID 138965294
3-(phenylsulfanylmethyl)pentan-3-ol
CID 115919348
3,3-dimethyl-4-phenylsulfanylbutan-1-amine
CID 115026624
2,2-dimethyl-3-phenylsulfanylpropanal
CID 15645098
(1Z,5Z)-cycloocta-1,5-diene;[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;rhodium;tetraphenylboranuide
CID 11983039
[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;iridium;2-phenylbenzenethiolate
CID 10953173

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane?
The IUPAC name of [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane (CID 139171150) is [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane.
What is the SMILES notation for [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane?
The canonical SMILES for [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane is CC(CSc1ccccc1)(CSc1ccccc1)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane?
The InChIKey is CSBYFEFGCSAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29PS2/c1-29(23-31-27-18-10-4-11-19-27,24-32-28-20-12-5-13-21-28)22-30(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h2-21H,22-24H2,1H3.
What are the key properties of [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane?
[2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane has a molecular weight of 472.66 g/mol, XLogP of 7.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-phenylsulfanyl-2-(phenylsulfanylmethyl)propyl]-diphenylphosphane is sourced from PubChem (CID 139171150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).