USD $9.00-99.00 / Kilogram
USD $6.00-9.00 / Gram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $100.00-150.00 / Kilogram
USD $2.00-10.00 / Kilogram
USD $6.00-10.00 / Kilogram
identification and related records
【name】
thiophene,3,4-bis(chloromethyl)-2,5-dimethyl-
【cas registry number】
5368-70-7
【synonyms】
3,4-bis(chloromethyl)-2,5-dimethylthiophene
nsc 149595
【molecular formula】
c8h10cl2s (products with the same molecular formula)
【molecular weight】
209.14
【inchi】
inchi=1/c8h10cl2s/c1-5-7(3-9)8(4-10)6(2)11-5/h3-4h2,1-2h3
【canonical smiles】
cc1=c(c(=c(s1)c)ccl)ccl
【mol file】
5368-70-7.mol
chemical and physical properties
【density】
1.253g/cm3
【boiling point】
283.9°cat760mmhg
【refractive index】
1.558
【flash point】
165.9°c
【computed properties】
molecular weight:209.136 [g/mol]
molecular formula:c8h10cl2s
xlogp3-aa:3.2
h-bond donor:0
h-bond acceptor:1
rotatable bond count:2
exact mass:207.988026
monoisotopic mass:207.988026
topological polar surface area:28.2
heavy atom count:11
formal charge:0
complexity:115
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 ring count:1
effective rotor count:2
conformer sampling rmsd:0.4
cid conformer count:12