2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane

C7H14O5P2S2 — CID 87475953

IUPAC2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)OP(O)(=S)OC1CC2CCC1C2
InChIInChI=1S/C7H14O5P2S2/c8-13(9,15)12-14(10,16)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,10,16)(H2,8,9,15)
InChIKeyILSMRLBMEWFBDN-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.63
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane

2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 87475953) has the molecular formula C7H14O5P2S2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID87475953
Molecular FormulaC7H14O5P2S2
Molecular Weight304.27 g/mol
Exact Mass303.98
IUPAC Name2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(O)(=S)OP(O)(=S)OC1CC2CCC1C2
InChIInChI=1S/C7H14O5P2S2/c8-13(9,15)12-14(10,16)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,10,16)(H2,8,9,15)
InChIKeyILSMRLBMEWFBDN-UHFFFAOYSA-N
XLogP1.63
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[amino(2-bicyclo[2.2.1]heptanyloxy)phosphinothioyl]oxybicyclo[2.2.1]heptane
CID 91238700
2-bicyclo[2.2.1]heptanyl [2-bicyclo[2.2.1]heptanyloxy(disulfanyl)phosphoryl] hydrogen phosphate
CID 87474183
2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
2-bicyclo[2.2.1]heptanyloxymethanedithioic acid
CID 511673
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
CID 98108160
CID 154594551
CID 154594551
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl] 2,2,2-trichloroethanimidate;[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl] 2,2,2-trichloroethanimidate
CID 154586037
2-bicyclo[2.2.1]heptanyl 2-(trifluoromethyl)prop-2-enoate
CID 20768646
1-(2-bicyclo[2.2.1]heptanyloxy)propan-2-ol
CID 73302120

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane (CID 87475953) is 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane is OP(O)(=S)OP(O)(=S)OC1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is ILSMRLBMEWFBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5P2S2/c8-13(9,15)12-14(10,16)11-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H,10,16)(H2,8,9,15).
What are the key properties of 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane?
2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 304.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyloxy-dihydroxyphosphinothioyloxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87475953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).