dihydroxy-bis(methylsulfanyl)phosphanium

C2H8O2PS2+ — CID 174165541

IUPACdihydroxy-bis(methylsulfanyl)phosphanium
SMILESCS[P+](O)(O)SC
InChIInChI=1S/C2H8O2PS2/c1-6-5(3,4)7-2/h3-4H,1-2H3/q+1
InChIKeyAZBNHYJDKZBYAK-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.37
Rot. Bonds2

About dihydroxy-bis(methylsulfanyl)phosphanium

dihydroxy-bis(methylsulfanyl)phosphanium (PubChem CID 174165541) has the molecular formula C2H8O2PS2+ and a molecular weight of 159.19 g/mol. Its IUPAC name is dihydroxy-bis(methylsulfanyl)phosphanium.

Molecular Properties

Compound Namedihydroxy-bis(methylsulfanyl)phosphanium
PubChem CID174165541
Molecular FormulaC2H8O2PS2+
Molecular Weight159.19 g/mol
Exact Mass158.97
IUPAC Namedihydroxy-bis(methylsulfanyl)phosphanium
SMILESCS[P+](O)(O)SC
InChIInChI=1S/C2H8O2PS2/c1-6-5(3,4)7-2/h3-4H,1-2H3/q+1
InChIKeyAZBNHYJDKZBYAK-UHFFFAOYSA-N
XLogP1.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-bis(methylsulfanyl)phosphanium?
The IUPAC name of dihydroxy-bis(methylsulfanyl)phosphanium (CID 174165541) is dihydroxy-bis(methylsulfanyl)phosphanium.
What is the SMILES notation for dihydroxy-bis(methylsulfanyl)phosphanium?
The canonical SMILES for dihydroxy-bis(methylsulfanyl)phosphanium is CS[P+](O)(O)SC.
What is the InChIKey of dihydroxy-bis(methylsulfanyl)phosphanium?
The InChIKey is AZBNHYJDKZBYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O2PS2/c1-6-5(3,4)7-2/h3-4H,1-2H3/q+1.
What are the key properties of dihydroxy-bis(methylsulfanyl)phosphanium?
dihydroxy-bis(methylsulfanyl)phosphanium has a molecular weight of 159.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-bis(methylsulfanyl)phosphanium is sourced from PubChem (CID 174165541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).