1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride

C7H10ClNO2S2 — CID 62084384

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride
SMILESCc1nc(C(C)S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C7H10ClNO2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3
InChIKeyXNUTVZIMPODNMO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.39
Rot. Bonds2

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride

1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride (PubChem CID 62084384) has the molecular formula C7H10ClNO2S2 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride
PubChem CID62084384
Molecular FormulaC7H10ClNO2S2
Molecular Weight239.75 g/mol
Exact Mass238.98
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride
SMILESCc1nc(C(C)S(=O)(=O)Cl)c(C)s1
InChIInChI=1S/C7H10ClNO2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3
InChIKeyXNUTVZIMPODNMO-UHFFFAOYSA-N
XLogP2.39
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride (CID 62084384) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride is Cc1nc(C(C)S(=O)(=O)Cl)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride?
The InChIKey is XNUTVZIMPODNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S2/c1-4-7(9-6(3)12-4)5(2)13(8,10)11/h5H,1-3H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride?
1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride has a molecular weight of 239.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 62084384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).