sodium 2-hydroxysulfonothioylethylazanide

C2H6NNaO2S2 — CID 71469196

IUPACsodium 2-hydroxysulfonothioylethylazanide
SMILES[NH-]CCS(=O)(O)=S.[Na+]
InChIInChI=1S/C2H6NO2S2.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q-1;+1
InChIKeySLOKNGJUUQJROU-UHFFFAOYSA-N
MW163.20 g/mol
LogP-2.74
Rot. Bonds2

About sodium 2-hydroxysulfonothioylethylazanide

sodium 2-hydroxysulfonothioylethylazanide (PubChem CID 71469196) has the molecular formula C2H6NNaO2S2 and a molecular weight of 163.20 g/mol. Its IUPAC name is sodium 2-hydroxysulfonothioylethylazanide.

Molecular Properties

Compound Namesodium 2-hydroxysulfonothioylethylazanide
PubChem CID71469196
Molecular FormulaC2H6NNaO2S2
Molecular Weight163.20 g/mol
Exact Mass162.97
IUPAC Namesodium 2-hydroxysulfonothioylethylazanide
SMILES[NH-]CCS(=O)(O)=S.[Na+]
InChIInChI=1S/C2H6NO2S2.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q-1;+1
InChIKeySLOKNGJUUQJROU-UHFFFAOYSA-N
XLogP-2.74
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-2.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxysulfonothioylethylazanide?
The IUPAC name of sodium 2-hydroxysulfonothioylethylazanide (CID 71469196) is sodium 2-hydroxysulfonothioylethylazanide.
What is the SMILES notation for sodium 2-hydroxysulfonothioylethylazanide?
The canonical SMILES for sodium 2-hydroxysulfonothioylethylazanide is [NH-]CCS(=O)(O)=S.[Na+].
What is the InChIKey of sodium 2-hydroxysulfonothioylethylazanide?
The InChIKey is SLOKNGJUUQJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO2S2.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q-1;+1.
What are the key properties of sodium 2-hydroxysulfonothioylethylazanide?
sodium 2-hydroxysulfonothioylethylazanide has a molecular weight of 163.20 g/mol, XLogP of -2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxysulfonothioylethylazanide is sourced from PubChem (CID 71469196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).