1,3-thiazole-2-sulfonyl chloride;hydrochloride

C3H3Cl2NO2S2 — CID 129319662

IUPAC1,3-thiazole-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1nccs1
InChIInChI=1S/C3H2ClNO2S2.ClH/c4-9(6,7)3-5-1-2-8-3;/h1-2H;1H
InChIKeyMGHSRRGOTBAPRJ-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.49
Rot. Bonds1

About 1,3-thiazole-2-sulfonyl chloride;hydrochloride

1,3-thiazole-2-sulfonyl chloride;hydrochloride (PubChem CID 129319662) has the molecular formula C3H3Cl2NO2S2 and a molecular weight of 220.10 g/mol. Its IUPAC name is 1,3-thiazole-2-sulfonyl chloride;hydrochloride.

Molecular Properties

Compound Name1,3-thiazole-2-sulfonyl chloride;hydrochloride
PubChem CID129319662
Molecular FormulaC3H3Cl2NO2S2
Molecular Weight220.10 g/mol
Exact Mass218.90
IUPAC Name1,3-thiazole-2-sulfonyl chloride;hydrochloride
SMILESCl.O=S(=O)(Cl)c1nccs1
InChIInChI=1S/C3H2ClNO2S2.ClH/c4-9(6,7)3-5-1-2-8-3;/h1-2H;1H
InChIKeyMGHSRRGOTBAPRJ-UHFFFAOYSA-N
XLogP1.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-2-sulfonyl chloride;hydrochloride?
The IUPAC name of 1,3-thiazole-2-sulfonyl chloride;hydrochloride (CID 129319662) is 1,3-thiazole-2-sulfonyl chloride;hydrochloride.
What is the SMILES notation for 1,3-thiazole-2-sulfonyl chloride;hydrochloride?
The canonical SMILES for 1,3-thiazole-2-sulfonyl chloride;hydrochloride is Cl.O=S(=O)(Cl)c1nccs1.
What is the InChIKey of 1,3-thiazole-2-sulfonyl chloride;hydrochloride?
The InChIKey is MGHSRRGOTBAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClNO2S2.ClH/c4-9(6,7)3-5-1-2-8-3;/h1-2H;1H.
What are the key properties of 1,3-thiazole-2-sulfonyl chloride;hydrochloride?
1,3-thiazole-2-sulfonyl chloride;hydrochloride has a molecular weight of 220.10 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-2-sulfonyl chloride;hydrochloride is sourced from PubChem (CID 129319662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).