CID 88555900

C7H16BO4PS — CID 88555900

IUPAC—
SMILES[B]CO[C@H](CC)C(C)OP(O)(=S)OC
InChIInChI=1S/C7H16BO4PS/c1-4-7(11-5-8)6(2)12-13(9,14)10-3/h6-7H,4-5H2,1-3H3,(H,9,14)/t6?,7-,13?/m1/s1
InChIKeyHZYCKNHUTXDUNS-MWBVSFINSA-N
MW238.05 g/mol
LogP1.18
Rot. Bonds7

About CID 88555900

CID 88555900 (PubChem CID 88555900) has the molecular formula C7H16BO4PS and a molecular weight of 238.05 g/mol.

Molecular Properties

Compound NameCID 88555900
PubChem CID88555900
Molecular FormulaC7H16BO4PS
Molecular Weight238.05 g/mol
Exact Mass238.06
IUPAC Name—
SMILES[B]CO[C@H](CC)C(C)OP(O)(=S)OC
InChIInChI=1S/C7H16BO4PS/c1-4-7(11-5-8)6(2)12-13(9,14)10-3/h6-7H,4-5H2,1-3H3,(H,9,14)/t6?,7-,13?/m1/s1
InChIKeyHZYCKNHUTXDUNS-MWBVSFINSA-N
XLogP1.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
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hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
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2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
hydroxy-methoxy-sulfanylidene-(2,2,2-trichloro-1-methoxyethoxy)-λ5-phosphane
CID 58602247
CID 123408648
CID 123408648
CID 89361910
CID 89361910
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
CID 91437014
CID 91437014
antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 21199895
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
tris(2,3,3-triethoxypropylsilane);tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174051401

Frequently Asked Questions

What is the IUPAC name of CID 88555900?
The IUPAC name of CID 88555900 (CID 88555900) is not available.
What is the SMILES notation for CID 88555900?
The canonical SMILES for CID 88555900 is [B]CO[C@H](CC)C(C)OP(O)(=S)OC.
What is the InChIKey of CID 88555900?
The InChIKey is HZYCKNHUTXDUNS-MWBVSFINSA-N. The full InChI is InChI=1S/C7H16BO4PS/c1-4-7(11-5-8)6(2)12-13(9,14)10-3/h6-7H,4-5H2,1-3H3,(H,9,14)/t6?,7-,13?/m1/s1.
What are the key properties of CID 88555900?
CID 88555900 has a molecular weight of 238.05 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88555900 is sourced from PubChem (CID 88555900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).