CID 118689788

C2H5O2S4- — CID 118689788

IUPAC—
SMILESCCO[S-](=O)=S(=S)=S
InChIInChI=1S/C2H5O2S4/c1-2-4-7(3)8(5)6/h2H2,1H3/q-1
InChIKeyHQXPVVSLTZRYOM-UHFFFAOYSA-N
MW189.33 g/mol
LogP0.36
Rot. Bonds2

About CID 118689788

CID 118689788 (PubChem CID 118689788) has the molecular formula C2H5O2S4- and a molecular weight of 189.33 g/mol.

Molecular Properties

Compound NameCID 118689788
PubChem CID118689788
Molecular FormulaC2H5O2S4-
Molecular Weight189.33 g/mol
Exact Mass188.92
IUPAC Name—
SMILESCCO[S-](=O)=S(=S)=S
InChIInChI=1S/C2H5O2S4/c1-2-4-7(3)8(5)6/h2H2,1H3/q-1
InChIKeyHQXPVVSLTZRYOM-UHFFFAOYSA-N
XLogP0.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 118689788?
The IUPAC name of CID 118689788 (CID 118689788) is not available.
What is the SMILES notation for CID 118689788?
The canonical SMILES for CID 118689788 is CCO[S-](=O)=S(=S)=S.
What is the InChIKey of CID 118689788?
The InChIKey is HQXPVVSLTZRYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2S4/c1-2-4-7(3)8(5)6/h2H2,1H3/q-1.
What are the key properties of CID 118689788?
CID 118689788 has a molecular weight of 189.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118689788 is sourced from PubChem (CID 118689788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).