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

C4H4ClNO2S2 — CID 53441758

IUPAC2-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C4H4ClNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKeyIQYWABFMCPBWBS-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.38
Rot. Bonds1

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

2-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 53441758) has the molecular formula C4H4ClNO2S2 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID53441758
Molecular FormulaC4H4ClNO2S2
Molecular Weight197.67 g/mol
Exact Mass196.94
IUPAC Name2-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C4H4ClNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3
InChIKeyIQYWABFMCPBWBS-UHFFFAOYSA-N
XLogP1.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-methyl-1,3-thiazole-5-sulfonyl chloride (CID 53441758) is 2-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is IQYWABFMCPBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3.
What are the key properties of 2-methyl-1,3-thiazole-5-sulfonyl chloride?
2-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 197.67 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 53441758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).