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

C7H9NO3S2 — CID 130604801

IUPAC1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccsn2)C1
InChIInChI=1S/C7H9NO3S2/c9-7(6-1-3-12-8-6)2-4-13(10,11)5-7/h1,3,9H,2,4-5H2
InChIKeyJTQCNKNGSNICPS-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.15
Rot. Bonds1

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

1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol (PubChem CID 130604801) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
PubChem CID130604801
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC Name1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccsn2)C1
InChIInChI=1S/C7H9NO3S2/c9-7(6-1-3-12-8-6)2-4-13(10,11)5-7/h1,3,9H,2,4-5H2
InChIKeyJTQCNKNGSNICPS-UHFFFAOYSA-N
XLogP0.15
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1,2-Thiazol-3-yl)thiolan-3-ol
CID 126985770
5-Methyl-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604949
2-Methyl-1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130646686
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
2-Methyl-2-methylsulfonyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 131169328

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The IUPAC name of 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol (CID 130604801) is 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol.
What is the SMILES notation for 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The canonical SMILES for 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol is O=S1(=O)CCC(O)(c2ccsn2)C1.
What is the InChIKey of 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
The InChIKey is JTQCNKNGSNICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c9-7(6-1-3-12-8-6)2-4-13(10,11)5-7/h1,3,9H,2,4-5H2.
What are the key properties of 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol?
1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol has a molecular weight of 219.29 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol is sourced from PubChem (CID 130604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).