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

C7H9NOS2 — CID 126985770

IUPAC3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESOC1(c2ccsn2)CCSC1
InChIInChI=1S/C7H9NOS2/c9-7(2-4-10-5-7)6-1-3-11-8-6/h1,3,9H,2,4-5H2
InChIKeyHQKQCUBGDXMBIU-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.47
Rot. Bonds1

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

3-(1,2-thiazol-3-yl)thiolan-3-ol (PubChem CID 126985770) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-(1,2-thiazol-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(1,2-thiazol-3-yl)thiolan-3-ol
PubChem CID126985770
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name3-(1,2-thiazol-3-yl)thiolan-3-ol
SMILESOC1(c2ccsn2)CCSC1
InChIInChI=1S/C7H9NOS2/c9-7(2-4-10-5-7)6-1-3-11-8-6/h1,3,9H,2,4-5H2
InChIKeyHQKQCUBGDXMBIU-UHFFFAOYSA-N
XLogP1.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-(1,2-thiazol-3-yl)hex-3-yn-2-ol
CID 176629056
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575
3-Methyl-2-(1,2-thiazol-3-yl)butan-2-ol
CID 126985702
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-Cyclopropyl-1-(1,2-thiazol-3-yl)propan-1-ol
CID 127002599
1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
1,1-Dioxo-3-(1,2-thiazol-3-yl)thiolan-3-ol
CID 130604801
Dicyclopropyl(1,2-thiazol-3-yl)methanol
CID 130604879
3-Methyl-1-(1,2-thiazol-3-yl)cyclobutan-1-ol
CID 130604943
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
(1-Methylsulfanylcyclobutyl)-(1,2-thiazol-3-yl)methanol
CID 130632212

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-3-yl)thiolan-3-ol?
The IUPAC name of 3-(1,2-thiazol-3-yl)thiolan-3-ol (CID 126985770) is 3-(1,2-thiazol-3-yl)thiolan-3-ol.
What is the SMILES notation for 3-(1,2-thiazol-3-yl)thiolan-3-ol?
The canonical SMILES for 3-(1,2-thiazol-3-yl)thiolan-3-ol is OC1(c2ccsn2)CCSC1.
What is the InChIKey of 3-(1,2-thiazol-3-yl)thiolan-3-ol?
The InChIKey is HQKQCUBGDXMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2/c9-7(2-4-10-5-7)6-1-3-11-8-6/h1,3,9H,2,4-5H2.
What are the key properties of 3-(1,2-thiazol-3-yl)thiolan-3-ol?
3-(1,2-thiazol-3-yl)thiolan-3-ol has a molecular weight of 187.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-3-yl)thiolan-3-ol is sourced from PubChem (CID 126985770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).