chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite

C3H5ClNO3PS — CID 174800182

IUPACchloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite
SMILESOP(OCl)OC1=NCCS1
InChIInChI=1S/C3H5ClNO3PS/c4-8-9(6)7-3-5-1-2-10-3/h6H,1-2H2
InChIKeyJZLPAOJTHNFKFG-UHFFFAOYSA-N
MW201.57 g/mol
LogP1.50
Rot. Bonds2

About chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite

chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite (PubChem CID 174800182) has the molecular formula C3H5ClNO3PS and a molecular weight of 201.57 g/mol. Its IUPAC name is chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite.

Molecular Properties

Compound Namechloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite
PubChem CID174800182
Molecular FormulaC3H5ClNO3PS
Molecular Weight201.57 g/mol
Exact Mass200.94
IUPAC Namechloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite
SMILESOP(OCl)OC1=NCCS1
InChIInChI=1S/C3H5ClNO3PS/c4-8-9(6)7-3-5-1-2-10-3/h6H,1-2H2
InChIKeyJZLPAOJTHNFKFG-UHFFFAOYSA-N
XLogP1.50
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.57
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite?
The IUPAC name of chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite (CID 174800182) is chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite.
What is the SMILES notation for chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite?
The canonical SMILES for chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite is OP(OCl)OC1=NCCS1.
What is the InChIKey of chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite?
The InChIKey is JZLPAOJTHNFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNO3PS/c4-8-9(6)7-3-5-1-2-10-3/h6H,1-2H2.
What are the key properties of chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite?
chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite has a molecular weight of 201.57 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 4,5-dihydro-1,3-thiazol-2-yl hydrogen phosphite is sourced from PubChem (CID 174800182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).