CID 160921753

C5H14BO2S — CID 160921753

IUPAC—
SMILESC.CC(C)S(C)(=O)=O.[B]
InChIInChI=1S/C4H10O2S.CH4.B/c1-4(2)7(3,5)6;;/h4H,1-3H3;1H4;
InChIKeyIVIADAWOMHVCRT-UHFFFAOYSA-N
MW149.04 g/mol
LogP0.69
Rot. Bonds1

About CID 160921753

CID 160921753 (PubChem CID 160921753) has the molecular formula C5H14BO2S and a molecular weight of 149.04 g/mol.

Molecular Properties

Compound NameCID 160921753
PubChem CID160921753
Molecular FormulaC5H14BO2S
Molecular Weight149.04 g/mol
Exact Mass149.08
IUPAC Name—
SMILESC.CC(C)S(C)(=O)=O.[B]
InChIInChI=1S/C4H10O2S.CH4.B/c1-4(2)7(3,5)6;;/h4H,1-3H3;1H4;
InChIKeyIVIADAWOMHVCRT-UHFFFAOYSA-N
XLogP0.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.04
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bis(3-methylbutan-2-one);bis(2-methylsulfonylpropane)
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imino-methyl-oxo-propan-2-yl-λ6-sulfane;imino-methyl-oxo-propan-2-yl-λ6-sulfane
CID 165047245
1-bromo-1-methylsulfonylethane
CID 87262081
dibromo(methylsulfonyl)methane
CID 13296766
3-methylsulfonylbutan-2-ol
CID 13461367
sodium propane-2-sulfonic acid
CID 23363435
nickel(2+);bis(propane-2-sulfonate)
CID 18692784
(2R)-2-methylsulfonylpropan-1-amine
CID 87577997
methane;methanesulfonic acid
CID 87535456
sulfuric acid;tetramethylphosphanium
CID 87132357
N'-methylsulfonylpropane-2-sulfonohydrazide
CID 57300851

Frequently Asked Questions

What is the IUPAC name of CID 160921753?
The IUPAC name of CID 160921753 (CID 160921753) is not available.
What is the SMILES notation for CID 160921753?
The canonical SMILES for CID 160921753 is C.CC(C)S(C)(=O)=O.[B].
What is the InChIKey of CID 160921753?
The InChIKey is IVIADAWOMHVCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.CH4.B/c1-4(2)7(3,5)6;;/h4H,1-3H3;1H4;.
What are the key properties of CID 160921753?
CID 160921753 has a molecular weight of 149.04 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160921753 is sourced from PubChem (CID 160921753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).