CID 175290596

H4O3PS2+ — CID 175290596

IUPAC—
SMILESO=[P+](O)O.SS
InChIInChI=1S/HO3P.H2S2/c1-4(2)3;1-2/h(H-,1,2,3);1-2H/p+1
InChIKeyPTSJJBCVZOVROH-UHFFFAOYSA-O
MW147.14 g/mol
LogP0.39
Rot. Bonds

About CID 175290596

CID 175290596 (PubChem CID 175290596) has the molecular formula H4O3PS2+ and a molecular weight of 147.14 g/mol.

Molecular Properties

Compound NameCID 175290596
PubChem CID175290596
Molecular FormulaH4O3PS2+
Molecular Weight147.14 g/mol
Exact Mass146.93
IUPAC Name—
SMILESO=[P+](O)O.SS
InChIInChI=1S/HO3P.H2S2/c1-4(2)3;1-2/h(H-,1,2,3);1-2H/p+1
InChIKeyPTSJJBCVZOVROH-UHFFFAOYSA-O
XLogP0.39
TPSA57.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175290596?
The IUPAC name of CID 175290596 (CID 175290596) is not available.
What is the SMILES notation for CID 175290596?
The canonical SMILES for CID 175290596 is O=[P+](O)O.SS.
What is the InChIKey of CID 175290596?
The InChIKey is PTSJJBCVZOVROH-UHFFFAOYSA-O. The full InChI is InChI=1S/HO3P.H2S2/c1-4(2)3;1-2/h(H-,1,2,3);1-2H/p+1.
What are the key properties of CID 175290596?
CID 175290596 has a molecular weight of 147.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175290596 is sourced from PubChem (CID 175290596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).