cyclohexylsulfanylphosphonic acid

C6H13O3PS — CID 19374027

IUPACcyclohexylsulfanylphosphonic acid
SMILESO=P(O)(O)SC1CCCCC1
InChIInChI=1S/C6H13O3PS/c7-10(8,9)11-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyQWLDSNUCPMJGFP-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.14
Rot. Bonds2

About cyclohexylsulfanylphosphonic acid

cyclohexylsulfanylphosphonic acid (PubChem CID 19374027) has the molecular formula C6H13O3PS and a molecular weight of 196.21 g/mol. Its IUPAC name is cyclohexylsulfanylphosphonic acid.

Molecular Properties

Compound Namecyclohexylsulfanylphosphonic acid
PubChem CID19374027
Molecular FormulaC6H13O3PS
Molecular Weight196.21 g/mol
Exact Mass196.03
IUPAC Namecyclohexylsulfanylphosphonic acid
SMILESO=P(O)(O)SC1CCCCC1
InChIInChI=1S/C6H13O3PS/c7-10(8,9)11-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9)
InChIKeyQWLDSNUCPMJGFP-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

di(cyclooctyl)phosphinic acid
CID 15243623
cyclohexane;phosphoric acid
CID 66712199
cyclohexylsulfanylformic acid
CID 57292109
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
CID 90737753
azane;cyclopropane;phosphoric acid
CID 67655484
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548
cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 159730060
cyclohexane-1,2-diamine;phosphoric acid
CID 70269724
(1-amino-4-cyclohexylsulfanyl-1-phosphonobutyl)phosphonic acid;hydrate
CID 88619977
2-cyclohexylsulfanyl-2-oxoacetic acid
CID 118565596
cyclohexylmethylphosphonic acid;hydrate
CID 70153007

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanylphosphonic acid?
The IUPAC name of cyclohexylsulfanylphosphonic acid (CID 19374027) is cyclohexylsulfanylphosphonic acid.
What is the SMILES notation for cyclohexylsulfanylphosphonic acid?
The canonical SMILES for cyclohexylsulfanylphosphonic acid is O=P(O)(O)SC1CCCCC1.
What is the InChIKey of cyclohexylsulfanylphosphonic acid?
The InChIKey is QWLDSNUCPMJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3PS/c7-10(8,9)11-6-4-2-1-3-5-6/h6H,1-5H2,(H2,7,8,9).
What are the key properties of cyclohexylsulfanylphosphonic acid?
cyclohexylsulfanylphosphonic acid has a molecular weight of 196.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanylphosphonic acid is sourced from PubChem (CID 19374027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).