sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride

C2H7NaO3S3 — CID 174385432

IUPACsodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride
SMILESO=S(=O)(O)C(S)CS.[H-].[Na+]
InChIInChI=1S/C2H6O3S3.Na.H/c3-8(4,5)2(7)1-6;;/h2,6-7H,1H2,(H,3,4,5);;/q;+1;-1
InChIKeyNTLWBMYRTJTDAC-UHFFFAOYSA-N
MW198.27 g/mol
LogP-2.82
Rot. Bonds2

About sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride

sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride (PubChem CID 174385432) has the molecular formula C2H7NaO3S3 and a molecular weight of 198.27 g/mol. Its IUPAC name is sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride
PubChem CID174385432
Molecular FormulaC2H7NaO3S3
Molecular Weight198.27 g/mol
Exact Mass197.95
IUPAC Namesodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride
SMILESO=S(=O)(O)C(S)CS.[H-].[Na+]
InChIInChI=1S/C2H6O3S3.Na.H/c3-8(4,5)2(7)1-6;;/h2,6-7H,1H2,(H,3,4,5);;/q;+1;-1
InChIKeyNTLWBMYRTJTDAC-UHFFFAOYSA-N
XLogP-2.82
TPSA54.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-2.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-sulfanylethanesulfonic acid
CID 18184067
1-sulfanyl-2-sulfinoethanesulfonic acid
CID 57078515
sodium;ethanethiol;hydride;sulfuric acid
CID 173063169
sodium;hydride;2-sulfanylethanol;sulfuric acid
CID 175303583
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
fluoro(sulfanyl)methanesulfonic acid
CID 175256377
disodium;hydride;sulfuric acid
CID 173215682
disodium;hydride;sulfuric acid
CID 173031766
2-hydroxyethane-1,1-disulfonic acid
CID 18781737
tetrasodium;1,6-diaminohexane-1,6-disulfonic acid;hydride
CID 175094997
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
bis(N-ethylethanamine);bis(1-sulfanylpropane-1,3-disulfonic acid)
CID 173463882

Frequently Asked Questions

What is the IUPAC name of sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride?
The IUPAC name of sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride (CID 174385432) is sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride.
What is the SMILES notation for sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride?
The canonical SMILES for sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride is O=S(=O)(O)C(S)CS.[H-].[Na+].
What is the InChIKey of sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride?
The InChIKey is NTLWBMYRTJTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S3.Na.H/c3-8(4,5)2(7)1-6;;/h2,6-7H,1H2,(H,3,4,5);;/q;+1;-1.
What are the key properties of sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride?
sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride has a molecular weight of 198.27 g/mol, XLogP of -2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-bis(sulfanyl)ethanesulfonic acid;hydride is sourced from PubChem (CID 174385432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).