carbanide;3-methylbutane-1-sulfinic acid;yttrium

C6H15O2SY- — CID 20602902

IUPACcarbanide;3-methylbutane-1-sulfinic acid;yttrium
SMILESCC(C)CCS(=O)O.[CH3-].[Y]
InChIInChI=1S/C5H12O2S.CH3.Y/c1-5(2)3-4-8(6)7;;/h5H,3-4H2,1-2H3,(H,6,7);1H3;/q;-1;
InChIKeyCPPUFWLDKWUOSW-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.70
Rot. Bonds3

About carbanide;3-methylbutane-1-sulfinic acid;yttrium

carbanide;3-methylbutane-1-sulfinic acid;yttrium (PubChem CID 20602902) has the molecular formula C6H15O2SY- and a molecular weight of 240.16 g/mol. Its IUPAC name is carbanide;3-methylbutane-1-sulfinic acid;yttrium.

Molecular Properties

Compound Namecarbanide;3-methylbutane-1-sulfinic acid;yttrium
PubChem CID20602902
Molecular FormulaC6H15O2SY-
Molecular Weight240.16 g/mol
Exact Mass239.99
IUPAC Namecarbanide;3-methylbutane-1-sulfinic acid;yttrium
SMILESCC(C)CCS(=O)O.[CH3-].[Y]
InChIInChI=1S/C5H12O2S.CH3.Y/c1-5(2)3-4-8(6)7;;/h5H,3-4H2,1-2H3,(H,6,7);1H3;/q;-1;
InChIKeyCPPUFWLDKWUOSW-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-disulfinic acid
CID 15180980
4-methyloctane-1-sulfinic acid
CID 174406360
3-methylbutyl hydrogen sulfite
CID 22742081
3-aminoheptane-1-sulfinic acid
CID 143275379
2-[hydroxy(propan-2-yl)amino]ethanesulfinic acid
CID 23382885
2-fluoroethanesulfinic acid;yttrium
CID 59841318
2-(3-methylbutylsulfinyl)pentanoic acid
CID 107753421
5-methyl-1-(sulfinoamino)hexane
CID 175257110
4-(3-methylbutylsulfinyl)butan-1-amine
CID 107767471
ethyl 2-(3-methylbutylsulfinyl)pentanoate
CID 107753438
ethyl 2-(3-methylbutylsulfinyl)butanoate
CID 107753433
10-methylundecyl hydrogen sulfite
CID 175162504

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylbutane-1-sulfinic acid;yttrium?
The IUPAC name of carbanide;3-methylbutane-1-sulfinic acid;yttrium (CID 20602902) is carbanide;3-methylbutane-1-sulfinic acid;yttrium.
What is the SMILES notation for carbanide;3-methylbutane-1-sulfinic acid;yttrium?
The canonical SMILES for carbanide;3-methylbutane-1-sulfinic acid;yttrium is CC(C)CCS(=O)O.[CH3-].[Y].
What is the InChIKey of carbanide;3-methylbutane-1-sulfinic acid;yttrium?
The InChIKey is CPPUFWLDKWUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2S.CH3.Y/c1-5(2)3-4-8(6)7;;/h5H,3-4H2,1-2H3,(H,6,7);1H3;/q;-1;.
What are the key properties of carbanide;3-methylbutane-1-sulfinic acid;yttrium?
carbanide;3-methylbutane-1-sulfinic acid;yttrium has a molecular weight of 240.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylbutane-1-sulfinic acid;yttrium is sourced from PubChem (CID 20602902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).