CID 149253211

Cl3O2PS — CID 149253211

IUPAC—
SMILESO=S(Cl)P(=O)(Cl)Cl
InChIInChI=1S/Cl3O2PS/c1-6(2,4)7(3)5
InChIKeyJOLYZWHEYROVJE-UHFFFAOYSA-N
MW201.40 g/mol
LogP2.47
Rot. Bonds1

About CID 149253211

CID 149253211 (PubChem CID 149253211) has the molecular formula Cl3O2PS and a molecular weight of 201.40 g/mol.

Molecular Properties

Compound NameCID 149253211
PubChem CID149253211
Molecular FormulaCl3O2PS
Molecular Weight201.40 g/mol
Exact Mass199.84
IUPAC Name—
SMILESO=S(Cl)P(=O)(Cl)Cl
InChIInChI=1S/Cl3O2PS/c1-6(2,4)7(3)5
InChIKeyJOLYZWHEYROVJE-UHFFFAOYSA-N
XLogP2.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 149253211?
The IUPAC name of CID 149253211 (CID 149253211) is not available.
What is the SMILES notation for CID 149253211?
The canonical SMILES for CID 149253211 is O=S(Cl)P(=O)(Cl)Cl.
What is the InChIKey of CID 149253211?
The InChIKey is JOLYZWHEYROVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/Cl3O2PS/c1-6(2,4)7(3)5.
What are the key properties of CID 149253211?
CID 149253211 has a molecular weight of 201.40 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149253211 is sourced from PubChem (CID 149253211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).