3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane

C20H26P2S2 — CID 132569703

IUPAC3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
SMILESCC1(C)CCC(C)(C)P(=S)(c2ccccc2)P1(=S)c1ccccc1
InChIInChI=1S/C20H26P2S2/c1-19(2)15-16-20(3,4)22(24,18-13-9-6-10-14-18)21(19,23)17-11-7-5-8-12-17/h5-14H,15-16H2,1-4H3
InChIKeyFONZKZLYUSARFY-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.86
Rot. Bonds2

About 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane

3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane (PubChem CID 132569703) has the molecular formula C20H26P2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
PubChem CID132569703
Molecular FormulaC20H26P2S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC Name3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane
SMILESCC1(C)CCC(C)(C)P(=S)(c2ccccc2)P1(=S)c1ccccc1
InChIInChI=1S/C20H26P2S2/c1-19(2)15-16-20(3,4)22(24,18-13-9-6-10-14-18)21(19,23)17-11-7-5-8-12-17/h5-14H,15-16H2,1-4H3
InChIKeyFONZKZLYUSARFY-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.86
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

2,2,6,6-tetramethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-one
CID 4657476
(1S,2R,5R)-5-methyl-2-phenyl-2-sulfanylidene-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane
CID 11436036
5,5-dimethyl-2-phenyl-2-sulfanylidene-1,2λ5-oxaphosphole
CID 134996545
1,3-diphenyl-1,3-bis(sulfanylidene)-2H-1λ5,3λ5-benzodiphosphole
CID 102113163
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
5-methyl-2-phenyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
CID 10105167
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
2,2,4,4-tetramethyl-1-phenyl-3H-phosphinoline 1-oxide
CID 71385233
CID 59360341
CID 59360341
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
CID 15870159
methane;(1-methylcyclopentyl)benzene
CID 143499824

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane?
The IUPAC name of 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane (CID 132569703) is 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane.
What is the SMILES notation for 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane?
The canonical SMILES for 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane is CC1(C)CCC(C)(C)P(=S)(c2ccccc2)P1(=S)c1ccccc1.
What is the InChIKey of 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane?
The InChIKey is FONZKZLYUSARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26P2S2/c1-19(2)15-16-20(3,4)22(24,18-13-9-6-10-14-18)21(19,23)17-11-7-5-8-12-17/h5-14H,15-16H2,1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane?
3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane has a molecular weight of 392.51 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1,2-diphenyl-1,2-bis(sulfanylidene)-1λ5,2λ5-diphosphinane is sourced from PubChem (CID 132569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).