propan-2-ylsulfinylmethanesulfinic acid

C4H10O3S2 — CID 89072296

IUPACpropan-2-ylsulfinylmethanesulfinic acid
SMILESCC(C)S(=O)CS(=O)O
InChIInChI=1S/C4H10O3S2/c1-4(2)8(5)3-9(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyZCFZMVIUIGCKKL-UHFFFAOYSA-N
MW170.25 g/mol
LogP0.32
Rot. Bonds3

About propan-2-ylsulfinylmethanesulfinic acid

propan-2-ylsulfinylmethanesulfinic acid (PubChem CID 89072296) has the molecular formula C4H10O3S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is propan-2-ylsulfinylmethanesulfinic acid.

Molecular Properties

Compound Namepropan-2-ylsulfinylmethanesulfinic acid
PubChem CID89072296
Molecular FormulaC4H10O3S2
Molecular Weight170.25 g/mol
Exact Mass170.01
IUPAC Namepropan-2-ylsulfinylmethanesulfinic acid
SMILESCC(C)S(=O)CS(=O)O
InChIInChI=1S/C4H10O3S2/c1-4(2)8(5)3-9(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyZCFZMVIUIGCKKL-UHFFFAOYSA-N
XLogP0.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-ylsulfinylmethanethiol
CID 146656946
ethane;2-ethylsulfinylpropane
CID 90763779
2-(2-chloroethylsulfinyl)propane
CID 55302794
3-propan-2-ylsulfinylpropanethioic S-acid
CID 88749489
sodium ethanesulfinic acid
CID 19960758
ethane-1,1-disulfinic acid
CID 56623500
2-methyl-3-sulfinopropanoic acid
CID 2828757
N,N-dimethyl-2-propan-2-ylsulfinylethanamine
CID 123112524
carbanide;3-methylbutane-1-sulfinic acid;yttrium
CID 20602902
(2R)-2-methyl-3-sulfinopropanoic acid
CID 7429293
3-amino-2-methylpropane-1-sulfinic acid
CID 55285402
1-hydroxypropane-2-sulfinic acid
CID 57120946

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfinylmethanesulfinic acid?
The IUPAC name of propan-2-ylsulfinylmethanesulfinic acid (CID 89072296) is propan-2-ylsulfinylmethanesulfinic acid.
What is the SMILES notation for propan-2-ylsulfinylmethanesulfinic acid?
The canonical SMILES for propan-2-ylsulfinylmethanesulfinic acid is CC(C)S(=O)CS(=O)O.
What is the InChIKey of propan-2-ylsulfinylmethanesulfinic acid?
The InChIKey is ZCFZMVIUIGCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S2/c1-4(2)8(5)3-9(6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of propan-2-ylsulfinylmethanesulfinic acid?
propan-2-ylsulfinylmethanesulfinic acid has a molecular weight of 170.25 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfinylmethanesulfinic acid is sourced from PubChem (CID 89072296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).