1-chloroethane-1,2-disulfinic acid

C2H5ClO4S2 — CID 151776307

IUPAC1-chloroethane-1,2-disulfinic acid
SMILESO=S(O)CC(Cl)S(=O)O
InChIInChI=1S/C2H5ClO4S2/c3-2(9(6)7)1-8(4)5/h2H,1H2,(H,4,5)(H,6,7)
InChIKeyRTQNJBMBLSBGBP-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.01
Rot. Bonds3

About 1-chloroethane-1,2-disulfinic acid

1-chloroethane-1,2-disulfinic acid (PubChem CID 151776307) has the molecular formula C2H5ClO4S2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-chloroethane-1,2-disulfinic acid.

Molecular Properties

Compound Name1-chloroethane-1,2-disulfinic acid
PubChem CID151776307
Molecular FormulaC2H5ClO4S2
Molecular Weight192.65 g/mol
Exact Mass191.93
IUPAC Name1-chloroethane-1,2-disulfinic acid
SMILESO=S(O)CC(Cl)S(=O)O
InChIInChI=1S/C2H5ClO4S2/c3-2(9(6)7)1-8(4)5/h2H,1H2,(H,4,5)(H,6,7)
InChIKeyRTQNJBMBLSBGBP-UHFFFAOYSA-N
XLogP-0.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-chloropropane-1-sulfinic acid
CID 174275377
1-chloro-3-(methylamino)propane-1-sulfinic acid
CID 174281630
sodium;chloroform;hydride;sulfurous acid
CID 174803854
3-amino-2-methylpropane-1-sulfinic acid
CID 55285402
2-methyl-3-sulfinopropanoic acid
CID 2828757
1,2-dichloropropane-1-sulfinic acid
CID 174269060
3-amino-2-methyl-3-oxopropane-1-sulfinic acid
CID 174845655
chloro-(fluoromethylamino)methanesulfinic acid
CID 174927125
ethane-1,2-disulfinic acid
CID 15180980
propan-2-ylsulfinylmethanesulfinic acid
CID 89072296
2-(aminomethyl)-3-oxopropane-1-sulfinic acid
CID 167088189
10,11-disulfinoundecanoic acid
CID 155275354

Frequently Asked Questions

What is the IUPAC name of 1-chloroethane-1,2-disulfinic acid?
The IUPAC name of 1-chloroethane-1,2-disulfinic acid (CID 151776307) is 1-chloroethane-1,2-disulfinic acid.
What is the SMILES notation for 1-chloroethane-1,2-disulfinic acid?
The canonical SMILES for 1-chloroethane-1,2-disulfinic acid is O=S(O)CC(Cl)S(=O)O.
What is the InChIKey of 1-chloroethane-1,2-disulfinic acid?
The InChIKey is RTQNJBMBLSBGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO4S2/c3-2(9(6)7)1-8(4)5/h2H,1H2,(H,4,5)(H,6,7).
What are the key properties of 1-chloroethane-1,2-disulfinic acid?
1-chloroethane-1,2-disulfinic acid has a molecular weight of 192.65 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethane-1,2-disulfinic acid is sourced from PubChem (CID 151776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).