(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride

C5H6ClNO3S2 — CID 122163314

IUPAC(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)sn1
InChIInChI=1S/C5H6ClNO3S2/c1-10-5-2-4(11-7-5)3-12(6,8)9/h2H,3H2,1H3
InChIKeyGFYPKHGYRZBUQP-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.22
Rot. Bonds3

About (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride

(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride (PubChem CID 122163314) has the molecular formula C5H6ClNO3S2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
PubChem CID122163314
Molecular FormulaC5H6ClNO3S2
Molecular Weight227.69 g/mol
Exact Mass226.95
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
SMILESCOc1cc(CS(=O)(=O)Cl)sn1
InChIInChI=1S/C5H6ClNO3S2/c1-10-5-2-4(11-7-5)3-12(6,8)9/h2H,3H2,1H3
InChIKeyGFYPKHGYRZBUQP-UHFFFAOYSA-N
XLogP1.22
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride (CID 122163314) is (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride is COc1cc(CS(=O)(=O)Cl)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride?
The InChIKey is GFYPKHGYRZBUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S2/c1-10-5-2-4(11-7-5)3-12(6,8)9/h2H,3H2,1H3.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride?
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride has a molecular weight of 227.69 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 122163314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).