CID 89330908

C2H5OS6- — CID 89330908

IUPAC—
SMILESCCOS(=S)(=S)[S-](=S)=S
InChIInChI=1S/C2H5OS6/c1-2-3-9(6,7)8(4)5/h2H2,1H3/q-1
InChIKeyIMVMJFSJYTWZNR-UHFFFAOYSA-N
MW237.46 g/mol
LogP0.47
Rot. Bonds3

About CID 89330908

CID 89330908 (PubChem CID 89330908) has the molecular formula C2H5OS6- and a molecular weight of 237.46 g/mol.

Molecular Properties

Compound NameCID 89330908
PubChem CID89330908
Molecular FormulaC2H5OS6-
Molecular Weight237.46 g/mol
Exact Mass236.87
IUPAC Name—
SMILESCCOS(=S)(=S)[S-](=S)=S
InChIInChI=1S/C2H5OS6/c1-2-3-9(6,7)8(4)5/h2H2,1H3/q-1
InChIKeyIMVMJFSJYTWZNR-UHFFFAOYSA-N
XLogP0.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.46
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 89330908?
The IUPAC name of CID 89330908 (CID 89330908) is not available.
What is the SMILES notation for CID 89330908?
The canonical SMILES for CID 89330908 is CCOS(=S)(=S)[S-](=S)=S.
What is the InChIKey of CID 89330908?
The InChIKey is IMVMJFSJYTWZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5OS6/c1-2-3-9(6,7)8(4)5/h2H2,1H3/q-1.
What are the key properties of CID 89330908?
CID 89330908 has a molecular weight of 237.46 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89330908 is sourced from PubChem (CID 89330908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).