2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane

C14H23PS3 — CID 87476097

IUPAC2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(SC1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C14H23PS3/c16-15(17,13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H,16,17)
InChIKeyBKZHNGJDKXZXSU-UHFFFAOYSA-N
MW318.51 g/mol
LogP5.34
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane

2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87476097) has the molecular formula C14H23PS3 and a molecular weight of 318.51 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87476097
Molecular FormulaC14H23PS3
Molecular Weight318.51 g/mol
Exact Mass318.07
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESS=P(S)(SC1CC2CCC1C2)C1CC2CCC1C2
InChIInChI=1S/C14H23PS3/c16-15(17,13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H,16,17)
InChIKeyBKZHNGJDKXZXSU-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-bicyclo[2.2.1]heptanylsulfanyl)methanethione
CID 87474944
(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane
CID 15564773
2-nitrososulfanylbicyclo[2.2.1]heptane
CID 162522476
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
CID 130708735
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropanoic acid
CID 130494260
tris(2-bicyclo[2.2.1]heptanyl)-sulfanylidene-λ5-arsane
CID 87476421
(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
CID 91238700
tricyclo[5.3.2.04,9]dodecane
CID 54490019
2-bicyclo[2.2.1]heptanyl(sulfanyl)silane
CID 173447991
bis(2-bicyclo[2.2.1]heptanyl)-sulfanylidenephosphanium
CID 171100432
1-(2-bicyclo[2.2.1]heptanylsulfanyl)propane-2-sulfonate
CID 156663628

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane (CID 87476097) is 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane is S=P(S)(SC1CC2CCC1C2)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is BKZHNGJDKXZXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23PS3/c16-15(17,13-7-9-1-3-11(13)5-9)18-14-8-10-2-4-12(14)6-10/h9-14H,1-8H2,(H,16,17).
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane?
2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 318.51 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87476097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).