4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide

C8H11NO3S2 — CID 117233686

IUPAC4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=C(OC2CCCCS2)C=N1
InChIInChI=1S/C8H11NO3S2/c10-14(11)6-7(5-9-14)12-8-3-1-2-4-13-8/h5-6,8H,1-4H2
InChIKeyRSXANVUSZQIBBA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.50
Rot. Bonds2

About 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide

4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide (PubChem CID 117233686) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide
PubChem CID117233686
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide
SMILESO=S1(=O)C=C(OC2CCCCS2)C=N1
InChIInChI=1S/C8H11NO3S2/c10-14(11)6-7(5-9-14)12-8-3-1-2-4-13-8/h5-6,8H,1-4H2
InChIKeyRSXANVUSZQIBBA-UHFFFAOYSA-N
XLogP1.50
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide?
The IUPAC name of 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide (CID 117233686) is 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide is O=S1(=O)C=C(OC2CCCCS2)C=N1.
What is the InChIKey of 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide?
The InChIKey is RSXANVUSZQIBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c10-14(11)6-7(5-9-14)12-8-3-1-2-4-13-8/h5-6,8H,1-4H2.
What are the key properties of 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide?
4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide has a molecular weight of 233.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thian-2-yloxy)-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 117233686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).