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

C4H3BrClNO2S2 — CID 71755541

IUPAC2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C4H3BrClNO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3
InChIKeyJAMLMXDGTIYZMH-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.14
Rot. Bonds1

About 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 71755541) has the molecular formula C4H3BrClNO2S2 and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID71755541
Molecular FormulaC4H3BrClNO2S2
Molecular Weight276.56 g/mol
Exact Mass274.85
IUPAC Name2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C4H3BrClNO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3
InChIKeyJAMLMXDGTIYZMH-UHFFFAOYSA-N
XLogP2.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 71755541) is 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(Br)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is JAMLMXDGTIYZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClNO2S2/c1-2-3(11(6,8)9)10-4(5)7-2/h1H3.
What are the key properties of 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 276.56 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 71755541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).