2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol

C8H11NO3S2 — CID 130646686

IUPAC2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESCC1C(O)(c2ccsn2)CCS1(=O)=O
InChIInChI=1S/C8H11NO3S2/c1-6-8(10,3-5-14(6,11)12)7-2-4-13-9-7/h2,4,6,10H,3,5H2,1H3
InChIKeyGKFMDTRQSCHYNX-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.54
Rot. Bonds1

About 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol

2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol (PubChem CID 130646686) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
PubChem CID130646686
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESCC1C(O)(c2ccsn2)CCS1(=O)=O
InChIInChI=1S/C8H11NO3S2/c1-6-8(10,3-5-14(6,11)12)7-2-4-13-9-7/h2,4,6,10H,3,5H2,1H3
InChIKeyGKFMDTRQSCHYNX-UHFFFAOYSA-N
XLogP0.54
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(1,2-thiazol-3-yl)butyl]sulfonylbutane-1,1-diol
CID 170770087
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
3-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801
5-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604949
4-Methyl-2-(1,2-thiazol-3-yl)pentan-2-ol
CID 130624388
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
2-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130655610
4,4-Dimethyl-3-(1,2-thiazol-3-yl)thian-3-ol
CID 130667468
1,2-Thiazol-3-yl(thiolan-3-yl)methanol
CID 130694348
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)ethanol
CID 130752198
2-Methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 130835212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The IUPAC name of 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol (CID 130646686) is 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol.
What is the SMILES notation for 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The canonical SMILES for 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol is CC1C(O)(c2ccsn2)CCS1(=O)=O.
What is the InChIKey of 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The InChIKey is GKFMDTRQSCHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-6-8(10,3-5-14(6,11)12)7-2-4-13-9-7/h2,4,6,10H,3,5H2,1H3.
What are the key properties of 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol has a molecular weight of 233.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol is sourced from PubChem (CID 130646686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).