2-methyl-2-sulfinopropane-1,3-disulfonic acid

C4H10O8S3 — CID 88654802

IUPAC2-methyl-2-sulfinopropane-1,3-disulfonic acid
SMILESCC(CS(=O)(=O)O)(CS(=O)(=O)O)S(=O)O
InChIInChI=1S/C4H10O8S3/c1-4(13(5)6,2-14(7,8)9)3-15(10,11)12/h2-3H2,1H3,(H,5,6)(H,7,8,9)(H,10,11,12)
InChIKeyZWBXRRHGGNNYNK-UHFFFAOYSA-N
MW282.32 g/mol
LogP-1.26
Rot. Bonds5

About 2-methyl-2-sulfinopropane-1,3-disulfonic acid

2-methyl-2-sulfinopropane-1,3-disulfonic acid (PubChem CID 88654802) has the molecular formula C4H10O8S3 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methyl-2-sulfinopropane-1,3-disulfonic acid.

Molecular Properties

Compound Name2-methyl-2-sulfinopropane-1,3-disulfonic acid
PubChem CID88654802
Molecular FormulaC4H10O8S3
Molecular Weight282.32 g/mol
Exact Mass281.95
IUPAC Name2-methyl-2-sulfinopropane-1,3-disulfonic acid
SMILESCC(CS(=O)(=O)O)(CS(=O)(=O)O)S(=O)O
InChIInChI=1S/C4H10O8S3/c1-4(13(5)6,2-14(7,8)9)3-15(10,11)12/h2-3H2,1H3,(H,5,6)(H,7,8,9)(H,10,11,12)
InChIKeyZWBXRRHGGNNYNK-UHFFFAOYSA-N
XLogP-1.26
TPSA146.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2-methoxy-2-methylpropane-1-sulfonic acid
CID 22636946
trimethyl-(2-methyl-1-sulfopropan-2-yl)azanium
CID 158986858
2-(diiodoamino)-2-methylpropane-1-sulfonic acid
CID 138539533
2-(dichloroamino)-2-methylpropane-1-sulfonic acid
CID 11708365
4-amino-2,2-dimethylbutane-1-sulfonic acid
CID 155264167
2-[bromo(chloro)amino]-2-methylpropane-1-sulfonic acid
CID 44814599
ethane-1,1,1,2-tetrasulfonic acid
CID 22184362
ethanesulfonic acid;2-methylpropane-2-sulfonic acid
CID 88898016
sodium;2-(dichloroamino)-2-methylpropane-1-sulfonic acid;hydride
CID 173043495
3-methoxy-2,2-dimethyl-3-oxopropane-1-sulfonic acid
CID 117059672

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-sulfinopropane-1,3-disulfonic acid?
The IUPAC name of 2-methyl-2-sulfinopropane-1,3-disulfonic acid (CID 88654802) is 2-methyl-2-sulfinopropane-1,3-disulfonic acid.
What is the SMILES notation for 2-methyl-2-sulfinopropane-1,3-disulfonic acid?
The canonical SMILES for 2-methyl-2-sulfinopropane-1,3-disulfonic acid is CC(CS(=O)(=O)O)(CS(=O)(=O)O)S(=O)O.
What is the InChIKey of 2-methyl-2-sulfinopropane-1,3-disulfonic acid?
The InChIKey is ZWBXRRHGGNNYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O8S3/c1-4(13(5)6,2-14(7,8)9)3-15(10,11)12/h2-3H2,1H3,(H,5,6)(H,7,8,9)(H,10,11,12).
What are the key properties of 2-methyl-2-sulfinopropane-1,3-disulfonic acid?
2-methyl-2-sulfinopropane-1,3-disulfonic acid has a molecular weight of 282.32 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-sulfinopropane-1,3-disulfonic acid is sourced from PubChem (CID 88654802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).