2- Cyanoethanesulfonyl Chloride - CAS 27869-05-2

Catalog:	BB069041
Product Name:	2- Cyanoethanesulfonyl Chloride
CAS:	27869-05-2
Synonyms:	2-cyanoethane-1-sulfonyl chloride; 2-cyanoethanesulfonyl chloride; 2-cyanoethanesulfonylchloride; 2-cyanoethane-1-sulfonylchloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-cyanoethanesulfonyl chloride
Description:	2- Cyanoethanesulfonyl Chloride is used as a protecting cap for oligonucleotide synthesis studies.
Molecular Weight:	153.59
Molecular Formula:	C3H4ClNO2S
Canonical SMILES:	C(CS(=O)(=O)Cl)C#N
InChI:	InChI=1S/C3H4ClNO2S/c4-8(6,7)3-1-2-5/h1,3H2
InChI Key:	NKBBONIJZUUWAR-UHFFFAOYSA-N
References:	Reiner, T. et al. Nucl. Acids Symp. Series, 18, 161 (1987).

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.9651272
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.9651272
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1