CID 172853428

C4H10K2O3S — CID 172853428

IUPAC—
SMILESCCCCS(=O)(=O)O.[K].[K]
InChIInChI=1S/C4H10O3S.2K/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;
InChIKeyYJLKQSZGQFANNQ-UHFFFAOYSA-N
MW216.38 g/mol
LogP-0.09
Rot. Bonds3

About CID 172853428

CID 172853428 (PubChem CID 172853428) has the molecular formula C4H10K2O3S and a molecular weight of 216.38 g/mol.

Molecular Properties

Compound NameCID 172853428
PubChem CID172853428
Molecular FormulaC4H10K2O3S
Molecular Weight216.38 g/mol
Exact Mass215.96
IUPAC Name—
SMILESCCCCS(=O)(=O)O.[K].[K]
InChIInChI=1S/C4H10O3S.2K/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;
InChIKeyYJLKQSZGQFANNQ-UHFFFAOYSA-N
XLogP-0.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 172853428 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane-1-sulfonic acid;sulfane
CID 174687882
sodium;butane-1-sulfonic acid;hydroxide
CID 175272255
CID 172750944
CID 172750944
bis(butane-1-sulfonic acid);propane-1,3-diol
CID 87128692
acetic acid;butane-1-sulfonic acid
CID 87107908
gold;pentane-1-sulfonic acid
CID 174800543
decane-1-sulfonic acid
CID 157391186
butan-1-amine;butane-1-sulfonic acid
CID 159596824
ethanesulfonic acid;pentane
CID 174496196
azanium octadecane-1-sulfonic acid
CID 20560144
methanamine;pentane-1-sulfonic acid
CID 87578509
azane;octadecane-1-sulfonic acid
CID 173437409

Frequently Asked Questions

What is the IUPAC name of CID 172853428?
The IUPAC name of CID 172853428 (CID 172853428) is not available.
What is the SMILES notation for CID 172853428?
The canonical SMILES for CID 172853428 is CCCCS(=O)(=O)O.[K].[K].
What is the InChIKey of CID 172853428?
The InChIKey is YJLKQSZGQFANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.2K/c1-2-3-4-8(5,6)7;;/h2-4H2,1H3,(H,5,6,7);;.
What are the key properties of CID 172853428?
CID 172853428 has a molecular weight of 216.38 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172853428 is sourced from PubChem (CID 172853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).