CID 152702881

HCl2NO5S3 — CID 152702881

IUPAC—
SMILES[H]N=S(=O)(S(=O)(=O)Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl2HNO5S3/c1-9(4,5)11(3,8)10(2,6)7/h3H
InChIKeyZRYIENGIGBAWCV-UHFFFAOYSA-N
MW262.12 g/mol
LogP0.00
Rot. Bonds2

About CID 152702881

CID 152702881 (PubChem CID 152702881) has the molecular formula HCl2NO5S3 and a molecular weight of 262.12 g/mol.

Molecular Properties

Compound NameCID 152702881
PubChem CID152702881
Molecular FormulaHCl2NO5S3
Molecular Weight262.12 g/mol
Exact Mass260.84
IUPAC Name—
SMILES[H]N=S(=O)(S(=O)(=O)Cl)S(=O)(=O)Cl
InChIInChI=1S/Cl2HNO5S3/c1-9(4,5)11(3,8)10(2,6)7/h3H
InChIKeyZRYIENGIGBAWCV-UHFFFAOYSA-N
XLogP0.00
TPSA109.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 152702881?
The IUPAC name of CID 152702881 (CID 152702881) is not available.
What is the SMILES notation for CID 152702881?
The canonical SMILES for CID 152702881 is [H]N=S(=O)(S(=O)(=O)Cl)S(=O)(=O)Cl.
What is the InChIKey of CID 152702881?
The InChIKey is ZRYIENGIGBAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2HNO5S3/c1-9(4,5)11(3,8)10(2,6)7/h3H.
What are the key properties of CID 152702881?
CID 152702881 has a molecular weight of 262.12 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152702881 is sourced from PubChem (CID 152702881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).