(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol

C6H9NO2S — CID 10012228

IUPAC(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol
SMILES[3H]C([3H])(O)c1cc(OCC)ns1
InChIInChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4T2
InChIKeyMALBEVJIAXSSOC-UFIFXRKYSA-N
MW163.23 g/mol
LogP1.03
Rot. Bonds3

About (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol

(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol (PubChem CID 10012228) has the molecular formula C6H9NO2S and a molecular weight of 163.23 g/mol. Its IUPAC name is (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol.

Molecular Properties

Compound Name(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol
PubChem CID10012228
Molecular FormulaC6H9NO2S
Molecular Weight163.23 g/mol
Exact Mass163.05
IUPAC Name(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol
SMILES[3H]C([3H])(O)c1cc(OCC)ns1
InChIInChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4T2
InChIKeyMALBEVJIAXSSOC-UFIFXRKYSA-N
XLogP1.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol?
The IUPAC name of (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol (CID 10012228) is (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol.
What is the SMILES notation for (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol?
The canonical SMILES for (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol is [3H]C([3H])(O)c1cc(OCC)ns1.
What is the InChIKey of (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol?
The InChIKey is MALBEVJIAXSSOC-UFIFXRKYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-2-9-6-3-5(4-8)10-7-6/h3,8H,2,4H2,1H3/i4T2.
What are the key properties of (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol?
(3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol has a molecular weight of 163.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1,2-thiazol-5-yl)-ditritiomethanol is sourced from PubChem (CID 10012228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).