USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $1.00-1.00 / Kilogram
USD $1.00-1.00 / Kilogram
identification and related records
【name】
acetyl chloride,2-(4-pyridinylthio)-
【cas registry number】
52998-13-7
【synonyms】
(4-pyridylthio)acetyl chloride
(pyridin-4-ylsulfanyl)acetyl chloride
【einecs(ec#)】
258-287-5
【molecular formula】
c7h6clnos (products with the same molecular formula)
【molecular weight】
171.65
【inchi】
inchi=1/c7h6clnos/c8-7(10)5-11-6-1-3-9-4-2-6/h1-4h,5h2
【canonical smiles】
c1=cn=cc=c1scc(=o)cl
【mol file】
52998-13-7.mol
chemical and physical properties
【density】
1.35g/cm3
【boiling point】
279.5°cat760mmhg
【refractive index】
1.59
【flash point】
122.8°c
【computed properties】
molecular weight:187.64664 [g/mol]
molecular formula:c7h6clnos
xlogp3-aa:1.9
h-bond donor:0
h-bond acceptor:3
rotatable bond count:3
exact mass:186.985862
monoisotopic mass:186.985862
topological polar surface area:55.3
heavy atom count:11
formal charge:0
complexity:136
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d ring count:1
effective rotor count:3
conformer sampling rmsd:0.6
cid conformer count:28