3-phosphorosooxy-1,2-thiazol-2-ium

C3H3NO2PS+ — CID 154139451

IUPAC3-phosphorosooxy-1,2-thiazol-2-ium
SMILESO=POc1ccs[nH+]1
InChIInChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H/p+1
InChIKeyWVMACKQTGZZJMH-UHFFFAOYSA-O
MW148.10 g/mol
LogP1.15
Rot. Bonds2

About 3-phosphorosooxy-1,2-thiazol-2-ium

3-phosphorosooxy-1,2-thiazol-2-ium (PubChem CID 154139451) has the molecular formula C3H3NO2PS+ and a molecular weight of 148.10 g/mol. Its IUPAC name is 3-phosphorosooxy-1,2-thiazol-2-ium.

Molecular Properties

Compound Name3-phosphorosooxy-1,2-thiazol-2-ium
PubChem CID154139451
Molecular FormulaC3H3NO2PS+
Molecular Weight148.10 g/mol
Exact Mass147.96
IUPAC Name3-phosphorosooxy-1,2-thiazol-2-ium
SMILESO=POc1ccs[nH+]1
InChIInChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H/p+1
InChIKeyWVMACKQTGZZJMH-UHFFFAOYSA-O
XLogP1.15
TPSA40.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.15
H-Bond Donors ≤ 50
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 3-phosphorosooxy-1,2-thiazol-2-ium?
The IUPAC name of 3-phosphorosooxy-1,2-thiazol-2-ium (CID 154139451) is 3-phosphorosooxy-1,2-thiazol-2-ium.
What is the SMILES notation for 3-phosphorosooxy-1,2-thiazol-2-ium?
The canonical SMILES for 3-phosphorosooxy-1,2-thiazol-2-ium is O=POc1ccs[nH+]1.
What is the InChIKey of 3-phosphorosooxy-1,2-thiazol-2-ium?
The InChIKey is WVMACKQTGZZJMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H2NO2PS/c5-7-6-3-1-2-8-4-3/h1-2H/p+1.
What are the key properties of 3-phosphorosooxy-1,2-thiazol-2-ium?
3-phosphorosooxy-1,2-thiazol-2-ium has a molecular weight of 148.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphorosooxy-1,2-thiazol-2-ium is sourced from PubChem (CID 154139451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).