bis(methylsulfanyl)phosphoryl dihydrogen phosphate

C2H8O5P2S2 — CID 87478038

IUPACbis(methylsulfanyl)phosphoryl dihydrogen phosphate
SMILESCSP(=O)(OP(=O)(O)O)SC
InChIInChI=1S/C2H8O5P2S2/c1-10-9(6,11-2)7-8(3,4)5/h1-2H3,(H2,3,4,5)
InChIKeyDIYFNQCPVANDJQ-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.93
Rot. Bonds4

About bis(methylsulfanyl)phosphoryl dihydrogen phosphate

bis(methylsulfanyl)phosphoryl dihydrogen phosphate (PubChem CID 87478038) has the molecular formula C2H8O5P2S2 and a molecular weight of 238.16 g/mol. Its IUPAC name is bis(methylsulfanyl)phosphoryl dihydrogen phosphate.

Molecular Properties

Compound Namebis(methylsulfanyl)phosphoryl dihydrogen phosphate
PubChem CID87478038
Molecular FormulaC2H8O5P2S2
Molecular Weight238.16 g/mol
Exact Mass237.93
IUPAC Namebis(methylsulfanyl)phosphoryl dihydrogen phosphate
SMILESCSP(=O)(OP(=O)(O)O)SC
InChIInChI=1S/C2H8O5P2S2/c1-10-9(6,11-2)7-8(3,4)5/h1-2H3,(H2,3,4,5)
InChIKeyDIYFNQCPVANDJQ-UHFFFAOYSA-N
XLogP1.93
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyl)phosphoryl dihydrogen phosphate?
The IUPAC name of bis(methylsulfanyl)phosphoryl dihydrogen phosphate (CID 87478038) is bis(methylsulfanyl)phosphoryl dihydrogen phosphate.
What is the SMILES notation for bis(methylsulfanyl)phosphoryl dihydrogen phosphate?
The canonical SMILES for bis(methylsulfanyl)phosphoryl dihydrogen phosphate is CSP(=O)(OP(=O)(O)O)SC.
What is the InChIKey of bis(methylsulfanyl)phosphoryl dihydrogen phosphate?
The InChIKey is DIYFNQCPVANDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O5P2S2/c1-10-9(6,11-2)7-8(3,4)5/h1-2H3,(H2,3,4,5).
What are the key properties of bis(methylsulfanyl)phosphoryl dihydrogen phosphate?
bis(methylsulfanyl)phosphoryl dihydrogen phosphate has a molecular weight of 238.16 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyl)phosphoryl dihydrogen phosphate is sourced from PubChem (CID 87478038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).