methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate

C7H11NO3S2 — CID 137443211

IUPACmethyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H11NO3S2/c1-7(2,9)6-8-4-5(12-6)13(10)11-3/h4,9H,1-3H3
InChIKeyNYQLHGHGGOZTGN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate

methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate (PubChem CID 137443211) has the molecular formula C7H11NO3S2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate
PubChem CID137443211
Molecular FormulaC7H11NO3S2
Molecular Weight221.30 g/mol
Exact Mass221.02
IUPAC Namemethyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H11NO3S2/c1-7(2,9)6-8-4-5(12-6)13(10)11-3/h4,9H,1-3H3
InChIKeyNYQLHGHGGOZTGN-UHFFFAOYSA-N
XLogP1.04
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The IUPAC name of methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate (CID 137443211) is methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate.
What is the SMILES notation for methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The canonical SMILES for methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate is COS(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The InChIKey is NYQLHGHGGOZTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S2/c1-7(2,9)6-8-4-5(12-6)13(10)11-3/h4,9H,1-3H3.
What are the key properties of methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate?
methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate has a molecular weight of 221.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 137443211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).