6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride

C5H4ClN3O2S2 — CID 21279515

IUPAC6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
SMILESCc1csc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C5H4ClN3O2S2/c1-3-2-12-5-7-4(8-9(3)5)13(6,10)11/h2H,1H3
InChIKeyVFJUNNRJULCIST-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.03
Rot. Bonds1

About 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride

6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride (PubChem CID 21279515) has the molecular formula C5H4ClN3O2S2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride.

Molecular Properties

Compound Name6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
PubChem CID21279515
Molecular FormulaC5H4ClN3O2S2
Molecular Weight237.69 g/mol
Exact Mass236.94
IUPAC Name6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
SMILESCc1csc2nc(S(=O)(=O)Cl)nn12
InChIInChI=1S/C5H4ClN3O2S2/c1-3-2-12-5-7-4(8-9(3)5)13(6,10)11/h2H,1H3
InChIKeyVFJUNNRJULCIST-UHFFFAOYSA-N
XLogP1.03
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The IUPAC name of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride (CID 21279515) is 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride.
What is the SMILES notation for 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The canonical SMILES for 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride is Cc1csc2nc(S(=O)(=O)Cl)nn12.
What is the InChIKey of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The InChIKey is VFJUNNRJULCIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2S2/c1-3-2-12-5-7-4(8-9(3)5)13(6,10)11/h2H,1H3.
What are the key properties of 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride has a molecular weight of 237.69 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride is sourced from PubChem (CID 21279515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).