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

C8H13NO3S2 — CID 137443258

IUPACmethyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1cnc(C(C)(C)OC)s1
InChIInChI=1S/C8H13NO3S2/c1-8(2,11-3)7-9-5-6(13-7)14(10)12-4/h5H,1-4H3
InChIKeySXZYXAYPDSPDMH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds4

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

methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate (PubChem CID 137443258) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Namemethyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate
PubChem CID137443258
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Namemethyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate
SMILESCOS(=O)c1cnc(C(C)(C)OC)s1
InChIInChI=1S/C8H13NO3S2/c1-8(2,11-3)7-9-5-6(13-7)14(10)12-4/h5H,1-4H3
InChIKeySXZYXAYPDSPDMH-UHFFFAOYSA-N
XLogP1.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The IUPAC name of methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate (CID 137443258) is methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate.
What is the SMILES notation for methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The canonical SMILES for methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate is COS(=O)c1cnc(C(C)(C)OC)s1.
What is the InChIKey of methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate?
The InChIKey is SXZYXAYPDSPDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-8(2,11-3)7-9-5-6(13-7)14(10)12-4/h5H,1-4H3.
What are the key properties of methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate?
methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate has a molecular weight of 235.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 137443258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).