2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride

C6H8ClNO4S3 — CID 170607911

IUPAC2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride
SMILESCC(C)S(=O)(=O)c1nc(S(=O)(=O)Cl)cs1
InChIInChI=1S/C6H8ClNO4S3/c1-4(2)14(9,10)6-8-5(3-13-6)15(7,11)12/h3-4H,1-2H3
InChIKeyDTDDKBHOEAGGSN-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.25
Rot. Bonds3

About 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride

2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride (PubChem CID 170607911) has the molecular formula C6H8ClNO4S3 and a molecular weight of 289.79 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride
PubChem CID170607911
Molecular FormulaC6H8ClNO4S3
Molecular Weight289.79 g/mol
Exact Mass288.93
IUPAC Name2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride
SMILESCC(C)S(=O)(=O)c1nc(S(=O)(=O)Cl)cs1
InChIInChI=1S/C6H8ClNO4S3/c1-4(2)14(9,10)6-8-5(3-13-6)15(7,11)12/h3-4H,1-2H3
InChIKeyDTDDKBHOEAGGSN-UHFFFAOYSA-N
XLogP1.25
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride (CID 170607911) is 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride is CC(C)S(=O)(=O)c1nc(S(=O)(=O)Cl)cs1.
What is the InChIKey of 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is DTDDKBHOEAGGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO4S3/c1-4(2)14(9,10)6-8-5(3-13-6)15(7,11)12/h3-4H,1-2H3.
What are the key properties of 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride?
2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 289.79 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 170607911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).