Dmps

C3H8NaO3S3 — CID 57349791

IUPAC—
SMILESO=S(=O)(O)CC(S)CS.[Na]
InChIInChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);
InChIKeyUHTVFSCCUGCUPJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP-0.28
Rot. Bonds3

About Dmps

Dmps (PubChem CID 57349791) has the molecular formula C3H8NaO3S3 and a molecular weight of 211.28 g/mol.

Molecular Properties

Compound NameDmps
PubChem CID57349791
Molecular FormulaC3H8NaO3S3
Molecular Weight211.28 g/mol
Exact Mass210.95
IUPAC Name—
SMILESO=S(=O)(O)CC(S)CS.[Na]
InChIInChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);
InChIKeyUHTVFSCCUGCUPJ-UHFFFAOYSA-N
XLogP-0.28
TPSA54.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Dmps?
The IUPAC name of Dmps (CID 57349791) is not available.
What is the SMILES notation for Dmps?
The canonical SMILES for Dmps is O=S(=O)(O)CC(S)CS.[Na].
What is the InChIKey of Dmps?
The InChIKey is UHTVFSCCUGCUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3S3.Na/c4-9(5,6)2-3(8)1-7;/h3,7-8H,1-2H2,(H,4,5,6);.
What are the key properties of Dmps?
Dmps has a molecular weight of 211.28 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Dmps is sourced from PubChem (CID 57349791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).