USD $26.70-31.40 / Gram
USD $26.70-31.40 / Gram
USD $26.70-31.40 / Gram
USD $26.70-31.40 / Gram
USD $26.70-31.40 / Gram
USD $7.90-9.40 / Gram
USD $7.90-9.40 / Gram
USD $7.90-9.40 / Gram
USD $7.90-9.40 / Gram
【name】
acetic acid,2-thiocyanato-, tetradecyl ester
【cas registry number】
5399-27-9
【synonyms】
aceticacid, thiocyanato-, tetradecyl ester (9ci)
nsc 1329
【molecular formula】
c17h31 n o2 s (products with the same molecular formula)
【molecular weight】
313.4985
【inchi】
inchi=1/c17h31no2s/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17(19)15-21-16-18/h2-15h2,1h3
【canonical smiles】
ccccccccccccccoc(=o)csc#n
chemical and physical properties
【density】
0.979g/cm3
【boiling point】
413.3°cat760mmhg
【refractive index】
1.477
【flash point】
203.8°c
【computed properties】
molecular weight:313.49854 [g/mol]
molecular formula:c17h31no2s
xlogp3-aa:7.5
h-bond donor:0
h-bond acceptor:4
rotatable bond count:16
exact mass:313.20755
monoisotopic mass:313.20755
topological polar surface area:75.4
heavy atom count:21
formal charge:0
complexity:286
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