2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride

C8H12ClNO2S2 — CID 146611140

IUPAC2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESCCC(C)(C)c1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-4-8(2,3)7-10-5-6(13-7)14(9,11)12/h5H,4H2,1-3H3
InChIKeyKLCYLWQTZFAENF-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride

2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride (PubChem CID 146611140) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride
PubChem CID146611140
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC Name2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride
SMILESCCC(C)(C)c1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-4-8(2,3)7-10-5-6(13-7)14(9,11)12/h5H,4H2,1-3H3
InChIKeyKLCYLWQTZFAENF-UHFFFAOYSA-N
XLogP2.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride (CID 146611140) is 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride is CCC(C)(C)c1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is KLCYLWQTZFAENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-4-8(2,3)7-10-5-6(13-7)14(9,11)12/h5H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride?
2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 253.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 146611140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).