2-Chloro-1-propanesulfonyl Chloride, >90% - CAS 2386-59-6

Catalog:	BB069888
Product Name:	2-Chloro-1-propanesulfonyl Chloride, >90%
CAS:	2386-59-6
Synonyms:	2-Chloropropane sulfonyl chloride; 2-chloropropane-1-sulfonyl chloride

Technical Data

IUPAC Name:	2-chloropropane-1-sulfonyl chloride
Description:	2-Chloro-1-propanesulfonyl Chloride is a reagent used as a building block in medicinal chemistry in the synthesis of heterocyclic compounds.
Molecular Weight:	177.05
Molecular Formula:	C3H6Cl2O2S
Canonical SMILES:	CC(CS(=O)(=O)Cl)Cl
InChI:	InChI=1S/C3H6Cl2O2S/c1-3(4)2-8(5,6)7/h3H,2H2,1H3
InChI Key:	MIEZLXKZZRINDV-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance:	Colourless to Light Yellow Oil
Storage:	Hygroscopic, Refrigerator, under inert atmosphere
References:	Virgil, P. et al. J Org. Chem., 66, 2104 (2001).

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.946556
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.946556
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4