2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid

C6H9NO2S2 — CID 68999544

IUPAC2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
SMILESCc1nc(CCS(=O)O)cs1
InChIInChI=1S/C6H9NO2S2/c1-5-7-6(4-10-5)2-3-11(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQAXQQKMNEGMCJD-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid

2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid (PubChem CID 68999544) has the molecular formula C6H9NO2S2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
PubChem CID68999544
Molecular FormulaC6H9NO2S2
Molecular Weight191.28 g/mol
Exact Mass191.01
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
SMILESCc1nc(CCS(=O)O)cs1
InChIInChI=1S/C6H9NO2S2/c1-5-7-6(4-10-5)2-3-11(8)9/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQAXQQKMNEGMCJD-UHFFFAOYSA-N
XLogP1.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 108760194
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620150
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
5-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106033629
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid (CID 68999544) is 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid is Cc1nc(CCS(=O)O)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid?
The InChIKey is QAXQQKMNEGMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S2/c1-5-7-6(4-10-5)2-3-11(8)9/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid?
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid has a molecular weight of 191.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid is sourced from PubChem (CID 68999544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).