(methyldisulfanyl) dihydrogen phosphite

CH5O3PS2 — CID 87476906

IUPAC(methyldisulfanyl) dihydrogen phosphite
SMILESCSSOP(O)O
InChIInChI=1S/CH5O3PS2/c1-6-7-4-5(2)3/h2-3H,1H3
InChIKeyAJDRWZOMAKQLOH-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.14
Rot. Bonds3

About (methyldisulfanyl) dihydrogen phosphite

(methyldisulfanyl) dihydrogen phosphite (PubChem CID 87476906) has the molecular formula CH5O3PS2 and a molecular weight of 160.16 g/mol. Its IUPAC name is (methyldisulfanyl) dihydrogen phosphite.

Molecular Properties

Compound Name(methyldisulfanyl) dihydrogen phosphite
PubChem CID87476906
Molecular FormulaCH5O3PS2
Molecular Weight160.16 g/mol
Exact Mass159.94
IUPAC Name(methyldisulfanyl) dihydrogen phosphite
SMILESCSSOP(O)O
InChIInChI=1S/CH5O3PS2/c1-6-7-4-5(2)3/h2-3H,1H3
InChIKeyAJDRWZOMAKQLOH-UHFFFAOYSA-N
XLogP1.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of (methyldisulfanyl) dihydrogen phosphite?
The IUPAC name of (methyldisulfanyl) dihydrogen phosphite (CID 87476906) is (methyldisulfanyl) dihydrogen phosphite.
What is the SMILES notation for (methyldisulfanyl) dihydrogen phosphite?
The canonical SMILES for (methyldisulfanyl) dihydrogen phosphite is CSSOP(O)O.
What is the InChIKey of (methyldisulfanyl) dihydrogen phosphite?
The InChIKey is AJDRWZOMAKQLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O3PS2/c1-6-7-4-5(2)3/h2-3H,1H3.
What are the key properties of (methyldisulfanyl) dihydrogen phosphite?
(methyldisulfanyl) dihydrogen phosphite has a molecular weight of 160.16 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (methyldisulfanyl) dihydrogen phosphite is sourced from PubChem (CID 87476906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).