5-bromo-1,3-thiazole-4-sulfonyl chloride

C3HBrClNO2S2 — CID 171935547

IUPAC5-bromo-1,3-thiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncsc1Br
InChIInChI=1S/C3HBrClNO2S2/c4-2-3(6-1-9-2)10(5,7)8/h1H
InChIKeyFLSNLUAHRSTMMA-UHFFFAOYSA-N
MW262.54 g/mol
LogP1.83
Rot. Bonds1

About 5-bromo-1,3-thiazole-4-sulfonyl chloride

5-bromo-1,3-thiazole-4-sulfonyl chloride (PubChem CID 171935547) has the molecular formula C3HBrClNO2S2 and a molecular weight of 262.54 g/mol. Its IUPAC name is 5-bromo-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-1,3-thiazole-4-sulfonyl chloride
PubChem CID171935547
Molecular FormulaC3HBrClNO2S2
Molecular Weight262.54 g/mol
Exact Mass260.83
IUPAC Name5-bromo-1,3-thiazole-4-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ncsc1Br
InChIInChI=1S/C3HBrClNO2S2/c4-2-3(6-1-9-2)10(5,7)8/h1H
InChIKeyFLSNLUAHRSTMMA-UHFFFAOYSA-N
XLogP1.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromothiadiazole-4-sulfonyl chloride
CID 84711097
3,4-dibromopyridine-2-sulfonyl chloride
CID 131008415
4-(chloromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 125426428
5-bromo-2-methyltriazole-4-sulfonyl chloride
CID 155819637
5-bromo-1,3-thiazole-4-carboxylate
CID 40787019
2-bromopyrimidine-5-sulfonyl chloride
CID 59406185
2,5-dibromopyridine-3-sulfonyl chloride
CID 112694375
4-bromobenzenesulfonyl chloride
CID 174561770
2,5-dibromothiophene-3-sulfonyl chloride
CID 4961868
1,3-thiazole-2-sulfonyl chloride;hydrochloride
CID 129319662
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
6-bromoimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
CID 25267672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 5-bromo-1,3-thiazole-4-sulfonyl chloride (CID 171935547) is 5-bromo-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 5-bromo-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 5-bromo-1,3-thiazole-4-sulfonyl chloride is O=S(=O)(Cl)c1ncsc1Br.
What is the InChIKey of 5-bromo-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is FLSNLUAHRSTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrClNO2S2/c4-2-3(6-1-9-2)10(5,7)8/h1H.
What are the key properties of 5-bromo-1,3-thiazole-4-sulfonyl chloride?
5-bromo-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 262.54 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 171935547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).