CID 21492382

H4Cl2N2O2P2S — CID 21492382

IUPAC—
SMILESNP(=O)(Cl)SP(N)(=O)Cl
InChIInChI=1S/Cl2H4N2O2P2S/c1-7(3,5)9-8(2,4)6/h(H2,3,5)(H2,4,6)
InChIKeyBUAGHFSTLDPZHF-UHFFFAOYSA-N
MW228.96 g/mol
LogP2.33
Rot. Bonds2

About CID 21492382

CID 21492382 (PubChem CID 21492382) has the molecular formula H4Cl2N2O2P2S and a molecular weight of 228.96 g/mol.

Molecular Properties

Compound NameCID 21492382
PubChem CID21492382
Molecular FormulaH4Cl2N2O2P2S
Molecular Weight228.96 g/mol
Exact Mass227.88
IUPAC Name—
SMILESNP(=O)(Cl)SP(N)(=O)Cl
InChIInChI=1S/Cl2H4N2O2P2S/c1-7(3,5)9-8(2,4)6/h(H2,3,5)(H2,4,6)
InChIKeyBUAGHFSTLDPZHF-UHFFFAOYSA-N
XLogP2.33
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.96
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21492382?
The IUPAC name of CID 21492382 (CID 21492382) is not available.
What is the SMILES notation for CID 21492382?
The canonical SMILES for CID 21492382 is NP(=O)(Cl)SP(N)(=O)Cl.
What is the InChIKey of CID 21492382?
The InChIKey is BUAGHFSTLDPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl2H4N2O2P2S/c1-7(3,5)9-8(2,4)6/h(H2,3,5)(H2,4,6).
What are the key properties of CID 21492382?
CID 21492382 has a molecular weight of 228.96 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21492382 is sourced from PubChem (CID 21492382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).