(cyclohexyldisulfanyl) dihydrogen phosphite

C6H13O3PS2 — CID 87475230

IUPAC(cyclohexyldisulfanyl) dihydrogen phosphite
SMILESOP(O)OSSC1CCCCC1
InChIInChI=1S/C6H13O3PS2/c7-10(8)9-12-11-6-4-2-1-3-5-6/h6-8H,1-5H2
InChIKeyZGKZCAJBCWCFSN-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.84
Rot. Bonds4

About (cyclohexyldisulfanyl) dihydrogen phosphite

(cyclohexyldisulfanyl) dihydrogen phosphite (PubChem CID 87475230) has the molecular formula C6H13O3PS2 and a molecular weight of 228.27 g/mol. Its IUPAC name is (cyclohexyldisulfanyl) dihydrogen phosphite.

Molecular Properties

Compound Name(cyclohexyldisulfanyl) dihydrogen phosphite
PubChem CID87475230
Molecular FormulaC6H13O3PS2
Molecular Weight228.27 g/mol
Exact Mass228.00
IUPAC Name(cyclohexyldisulfanyl) dihydrogen phosphite
SMILESOP(O)OSSC1CCCCC1
InChIInChI=1S/C6H13O3PS2/c7-10(8)9-12-11-6-4-2-1-3-5-6/h6-8H,1-5H2
InChIKeyZGKZCAJBCWCFSN-UHFFFAOYSA-N
XLogP2.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
[amino-(cyclohexyldisulfanyl)oxyphosphoryl] dihydrogen phosphate
CID 90737753
methyl (cyclohexyldisulfanyl)formate
CID 88806501
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
hydroperoxysulfanylcyclopentane
CID 163690413
2,4,6-tris(cyclohexyldisulfanyl)-1,3,5-triazine
CID 71413657
1,2-bis(cyclohexylsulfanyl)ethene-1,2-dithiol
CID 76563943
cyclohexyl thiohypochlorite
CID 174496435
disulfanylcyclododecane
CID 87475322
cyclohexylsulfanylformic acid
CID 57292109
potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide
CID 106746987
(cyclopentyldisulfanyl)methylcyclopentane
CID 129169499

Frequently Asked Questions

What is the IUPAC name of (cyclohexyldisulfanyl) dihydrogen phosphite?
The IUPAC name of (cyclohexyldisulfanyl) dihydrogen phosphite (CID 87475230) is (cyclohexyldisulfanyl) dihydrogen phosphite.
What is the SMILES notation for (cyclohexyldisulfanyl) dihydrogen phosphite?
The canonical SMILES for (cyclohexyldisulfanyl) dihydrogen phosphite is OP(O)OSSC1CCCCC1.
What is the InChIKey of (cyclohexyldisulfanyl) dihydrogen phosphite?
The InChIKey is ZGKZCAJBCWCFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3PS2/c7-10(8)9-12-11-6-4-2-1-3-5-6/h6-8H,1-5H2.
What are the key properties of (cyclohexyldisulfanyl) dihydrogen phosphite?
(cyclohexyldisulfanyl) dihydrogen phosphite has a molecular weight of 228.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexyldisulfanyl) dihydrogen phosphite is sourced from PubChem (CID 87475230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).