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

C4H2ClN3O2S2 — CID 19828957

IUPAC[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2sccn2n1
InChIInChI=1S/C4H2ClN3O2S2/c5-12(9,10)3-6-4-8(7-3)1-2-11-4/h1-2H
InChIKeyUVBVJBRLJCOYCT-UHFFFAOYSA-N
MW223.67 g/mol
LogP0.72
Rot. Bonds1

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

[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride (PubChem CID 19828957) has the molecular formula C4H2ClN3O2S2 and a molecular weight of 223.67 g/mol. Its IUPAC name is [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride.

Molecular Properties

Compound Name[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
PubChem CID19828957
Molecular FormulaC4H2ClN3O2S2
Molecular Weight223.67 g/mol
Exact Mass222.93
IUPAC Name[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nc2sccn2n1
InChIInChI=1S/C4H2ClN3O2S2/c5-12(9,10)3-6-4-8(7-3)1-2-11-4/h1-2H
InChIKeyUVBVJBRLJCOYCT-UHFFFAOYSA-N
XLogP0.72
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Thiazolo[3,2-b][1,2,4]triazole
CID 13755997
[1,2,3,4]Tetrazolo[5,1-B][1,3]thiazole
CID 21780996
2-(Trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 69032394
2-Methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 14929653
1-Methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-1-ium
CID 67843224
Imidazo[5,1-b][1,3,4]thiadiazole
CID 69487822
CID 87361287
CID 87361287
2-Ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 140375162
Imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 84028520
2-Methylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl chloride
CID 84030443
Thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 84648505

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The IUPAC name of [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride (CID 19828957) is [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride.
What is the SMILES notation for [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The canonical SMILES for [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride is O=S(=O)(Cl)c1nc2sccn2n1.
What is the InChIKey of [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
The InChIKey is UVBVJBRLJCOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClN3O2S2/c5-12(9,10)3-6-4-8(7-3)1-2-11-4/h1-2H.
What are the key properties of [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride?
[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride has a molecular weight of 223.67 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonyl chloride is sourced from PubChem (CID 19828957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).