1-sulfanylethanesulfinic acid

C2H6O2S2 — CID 57298371

IUPAC1-sulfanylethanesulfinic acid
SMILESCC(S)S(=O)O
InChIInChI=1S/C2H6O2S2/c1-2(5)6(3)4/h2,5H,1H3,(H,3,4)
InChIKeyMJULTVNXEFHUIZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.48
Rot. Bonds1

About 1-sulfanylethanesulfinic acid

1-sulfanylethanesulfinic acid (PubChem CID 57298371) has the molecular formula C2H6O2S2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-sulfanylethanesulfinic acid.

Molecular Properties

Compound Name1-sulfanylethanesulfinic acid
PubChem CID57298371
Molecular FormulaC2H6O2S2
Molecular Weight126.20 g/mol
Exact Mass125.98
IUPAC Name1-sulfanylethanesulfinic acid
SMILESCC(S)S(=O)O
InChIInChI=1S/C2H6O2S2/c1-2(5)6(3)4/h2,5H,1H3,(H,3,4)
InChIKeyMJULTVNXEFHUIZ-UHFFFAOYSA-N
XLogP0.48
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,1-disulfinic acid
CID 56623500
1-hydroxypropane-2-sulfinic acid
CID 57120946
butane-2-sulfinic acid
CID 12672761
1-trimethylsilylethanesulfinic acid
CID 12705343
1,2-dichloropropane-1-sulfinic acid
CID 174269060
propan-2-ol;sulfur trioxide
CID 174853571
(2S)-1-aminopropane-2-sulfinic acid
CID 167729808
2,7-dimethyloctane-3,6-disulfinic acid
CID 57011759
1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
4-methoxybutane-2-sulfinic acid
CID 165449542
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
difluoromethanesulfinic acid;zinc
CID 140809876

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylethanesulfinic acid?
The IUPAC name of 1-sulfanylethanesulfinic acid (CID 57298371) is 1-sulfanylethanesulfinic acid.
What is the SMILES notation for 1-sulfanylethanesulfinic acid?
The canonical SMILES for 1-sulfanylethanesulfinic acid is CC(S)S(=O)O.
What is the InChIKey of 1-sulfanylethanesulfinic acid?
The InChIKey is MJULTVNXEFHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2S2/c1-2(5)6(3)4/h2,5H,1H3,(H,3,4).
What are the key properties of 1-sulfanylethanesulfinic acid?
1-sulfanylethanesulfinic acid has a molecular weight of 126.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylethanesulfinic acid is sourced from PubChem (CID 57298371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).