CID 158691877

CH5O5S2- — CID 158691877

IUPAC—
SMILESC.O=S([O-])S(=O)(=O)O
InChIInChI=1S/CH4.H2O5S2/c;1-6(2)7(3,4)5/h1H4;(H,1,2)(H,3,4,5)/p-1
InChIKeyIGLJWJUPSOYLAW-UHFFFAOYSA-M
MW161.18 g/mol
LogP-0.70
Rot. Bonds1

About CID 158691877

CID 158691877 (PubChem CID 158691877) has the molecular formula CH5O5S2- and a molecular weight of 161.18 g/mol.

Molecular Properties

Compound NameCID 158691877
PubChem CID158691877
Molecular FormulaCH5O5S2-
Molecular Weight161.18 g/mol
Exact Mass160.96
IUPAC Name—
SMILESC.O=S([O-])S(=O)(=O)O
InChIInChI=1S/CH4.H2O5S2/c;1-6(2)7(3,4)5/h1H4;(H,1,2)(H,3,4,5)/p-1
InChIKeyIGLJWJUPSOYLAW-UHFFFAOYSA-M
XLogP-0.70
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158691877?
The IUPAC name of CID 158691877 (CID 158691877) is not available.
What is the SMILES notation for CID 158691877?
The canonical SMILES for CID 158691877 is C.O=S([O-])S(=O)(=O)O.
What is the InChIKey of CID 158691877?
The InChIKey is IGLJWJUPSOYLAW-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4.H2O5S2/c;1-6(2)7(3,4)5/h1H4;(H,1,2)(H,3,4,5)/p-1.
What are the key properties of CID 158691877?
CID 158691877 has a molecular weight of 161.18 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158691877 is sourced from PubChem (CID 158691877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).