CID 118541889

C2H7O2S2- — CID 118541889

IUPAC—
SMILESCC.O=[S-](O)=S
InChIInChI=1S/C2H6.HO2S2/c1-2;1-4(2)3/h1-2H3;(H,1,2,3)/q;-1
InChIKeyCDXVXYQVKRIELV-UHFFFAOYSA-N
MW127.21 g/mol
LogP0.91
Rot. Bonds

About CID 118541889

CID 118541889 (PubChem CID 118541889) has the molecular formula C2H7O2S2- and a molecular weight of 127.21 g/mol.

Molecular Properties

Compound NameCID 118541889
PubChem CID118541889
Molecular FormulaC2H7O2S2-
Molecular Weight127.21 g/mol
Exact Mass126.99
IUPAC Name—
SMILESCC.O=[S-](O)=S
InChIInChI=1S/C2H6.HO2S2/c1-2;1-4(2)3/h1-2H3;(H,1,2,3)/q;-1
InChIKeyCDXVXYQVKRIELV-UHFFFAOYSA-N
XLogP0.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 118541889?
The IUPAC name of CID 118541889 (CID 118541889) is not available.
What is the SMILES notation for CID 118541889?
The canonical SMILES for CID 118541889 is CC.O=[S-](O)=S.
What is the InChIKey of CID 118541889?
The InChIKey is CDXVXYQVKRIELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.HO2S2/c1-2;1-4(2)3/h1-2H3;(H,1,2,3)/q;-1.
What are the key properties of CID 118541889?
CID 118541889 has a molecular weight of 127.21 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118541889 is sourced from PubChem (CID 118541889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).