2,3-bis(sulfanyl)butane-1-sulfonic acid

C4H10O3S3 — CID 18953174

IUPAC2,3-bis(sulfanyl)butane-1-sulfonic acid
SMILESCC(S)C(S)CS(=O)(=O)O
InChIInChI=1S/C4H10O3S3/c1-3(8)4(9)2-10(5,6)7/h3-4,8-9H,2H2,1H3,(H,5,6,7)
InChIKeyIQIHVVVOHACQHO-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.49
Rot. Bonds3

About 2,3-bis(sulfanyl)butane-1-sulfonic acid

2,3-bis(sulfanyl)butane-1-sulfonic acid (PubChem CID 18953174) has the molecular formula C4H10O3S3 and a molecular weight of 202.32 g/mol. Its IUPAC name is 2,3-bis(sulfanyl)butane-1-sulfonic acid.

Molecular Properties

Compound Name2,3-bis(sulfanyl)butane-1-sulfonic acid
PubChem CID18953174
Molecular FormulaC4H10O3S3
Molecular Weight202.32 g/mol
Exact Mass201.98
IUPAC Name2,3-bis(sulfanyl)butane-1-sulfonic acid
SMILESCC(S)C(S)CS(=O)(=O)O
InChIInChI=1S/C4H10O3S3/c1-3(8)4(9)2-10(5,6)7/h3-4,8-9H,2H2,1H3,(H,5,6,7)
InChIKeyIQIHVVVOHACQHO-UHFFFAOYSA-N
XLogP0.49
TPSA54.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.49
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

2-sulfanylpropane-1-sulfonic acid
CID 14389616
methanesulfonic acid;1-sulfanylethanol
CID 174795676
CID 87204647
CID 87204647
methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
2,3-dimethyl-4-sulfobutanoic acid
CID 82254181
3-bromo-2-methylpropane-1-sulfonic acid
CID 173458122
2-trihydroxysilylpropane-1-sulfonic acid
CID 87750913
2-methyl-3-oxobutane-1-sulfonic acid
CID 174550329
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
(2S)-2-methyl-3-methylsulfonyloxypropane-1-sulfonic acid
CID 89117976
3-amino-2-methyl-4-sulfobutanoic acid
CID 21141328

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(sulfanyl)butane-1-sulfonic acid?
The IUPAC name of 2,3-bis(sulfanyl)butane-1-sulfonic acid (CID 18953174) is 2,3-bis(sulfanyl)butane-1-sulfonic acid.
What is the SMILES notation for 2,3-bis(sulfanyl)butane-1-sulfonic acid?
The canonical SMILES for 2,3-bis(sulfanyl)butane-1-sulfonic acid is CC(S)C(S)CS(=O)(=O)O.
What is the InChIKey of 2,3-bis(sulfanyl)butane-1-sulfonic acid?
The InChIKey is IQIHVVVOHACQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S3/c1-3(8)4(9)2-10(5,6)7/h3-4,8-9H,2H2,1H3,(H,5,6,7).
What are the key properties of 2,3-bis(sulfanyl)butane-1-sulfonic acid?
2,3-bis(sulfanyl)butane-1-sulfonic acid has a molecular weight of 202.32 g/mol, XLogP of 0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(sulfanyl)butane-1-sulfonic acid is sourced from PubChem (CID 18953174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).