3-phosphorosooxy-1,2-thiazole

C3H2NO2PS — CID 21317923

IUPAC3-phosphorosooxy-1,2-thiazole
SMILESO=POc1ccsn1
InChIInChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H
InChIKeyWVMACKQTGZZJMH-UHFFFAOYSA-N
MW147.09 g/mol
LogP1.73
Rot. Bonds2

About 3-phosphorosooxy-1,2-thiazole

3-phosphorosooxy-1,2-thiazole (PubChem CID 21317923) has the molecular formula C3H2NO2PS and a molecular weight of 147.09 g/mol. Its IUPAC name is 3-phosphorosooxy-1,2-thiazole.

Molecular Properties

Compound Name3-phosphorosooxy-1,2-thiazole
PubChem CID21317923
Molecular FormulaC3H2NO2PS
Molecular Weight147.09 g/mol
Exact Mass146.95
IUPAC Name3-phosphorosooxy-1,2-thiazole
SMILESO=POc1ccsn1
InChIInChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H
InChIKeyWVMACKQTGZZJMH-UHFFFAOYSA-N
XLogP1.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phosphorosooxy-1,2-thiazole?
The IUPAC name of 3-phosphorosooxy-1,2-thiazole (CID 21317923) is 3-phosphorosooxy-1,2-thiazole.
What is the SMILES notation for 3-phosphorosooxy-1,2-thiazole?
The canonical SMILES for 3-phosphorosooxy-1,2-thiazole is O=POc1ccsn1.
What is the InChIKey of 3-phosphorosooxy-1,2-thiazole?
The InChIKey is WVMACKQTGZZJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H.
What are the key properties of 3-phosphorosooxy-1,2-thiazole?
3-phosphorosooxy-1,2-thiazole has a molecular weight of 147.09 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosooxy-1,2-thiazole is sourced from PubChem (CID 21317923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).