(2H)iodane;iodophosphane;methanethione

C2H9I3P2S2 — CID 158317963

IUPAC(2H)iodane;iodophosphane;methanethione
SMILESC=S.C=S.PI.PI.[2H]I
InChIInChI=1S/2CH2S.2H2IP.HI/c4*1-2;/h2*1H2;2*2H2;1H/i/hD
InChIKeyGOMPZJMNKGDCNN-DYCDLGHISA-N
MW540.89 g/mol
LogP4.27
Rot. Bonds

About (2H)iodane;iodophosphane;methanethione

(2H)iodane;iodophosphane;methanethione (PubChem CID 158317963) has the molecular formula C2H9I3P2S2 and a molecular weight of 540.89 g/mol. Its IUPAC name is (2H)iodane;iodophosphane;methanethione.

Molecular Properties

Compound Name(2H)iodane;iodophosphane;methanethione
PubChem CID158317963
Molecular FormulaC2H9I3P2S2
Molecular Weight540.89 g/mol
Exact Mass540.68
IUPAC Name(2H)iodane;iodophosphane;methanethione
SMILESC=S.C=S.PI.PI.[2H]I
InChIInChI=1S/2CH2S.2H2IP.HI/c4*1-2;/h2*1H2;2*2H2;1H/i/hD
InChIKeyGOMPZJMNKGDCNN-DYCDLGHISA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.89
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2H)iodane;iodophosphane;methanethione?
The IUPAC name of (2H)iodane;iodophosphane;methanethione (CID 158317963) is (2H)iodane;iodophosphane;methanethione.
What is the SMILES notation for (2H)iodane;iodophosphane;methanethione?
The canonical SMILES for (2H)iodane;iodophosphane;methanethione is C=S.C=S.PI.PI.[2H]I.
What is the InChIKey of (2H)iodane;iodophosphane;methanethione?
The InChIKey is GOMPZJMNKGDCNN-DYCDLGHISA-N. The full InChI is InChI=1S/2CH2S.2H2IP.HI/c4*1-2;/h2*1H2;2*2H2;1H/i/hD.
What are the key properties of (2H)iodane;iodophosphane;methanethione?
(2H)iodane;iodophosphane;methanethione has a molecular weight of 540.89 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2H)iodane;iodophosphane;methanethione is sourced from PubChem (CID 158317963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).