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113968-07-3 | Benzene, 1-[1-bromo-2,2-bis(methylthio)ethenyl]-4-methyl-
CAS No: 113968-07-3 Catalog No: AG000A7B MDL No:
Product Description
Catalog Number:
AG000A7B
Chemical Name:
Benzene, 1-[1-bromo-2,2-bis(methylthio)ethenyl]-4-methyl-
CAS Number:
113968-07-3
Molecular Formula:
C11H13BrS2
Molecular Weight:
289.2549
IUPAC Name:
1-[1-bromo-2,2-bis(methylsulfanyl)ethenyl]-4-methylbenzene
InChI:
InChI=1S/C11H13BrS2/c1-8-4-6-9(7-5-8)10(12)11(13-2)14-3/h4-7H,1-3H3
InChI Key:
PVYQDXCIUVRNHN-UHFFFAOYSA-N
SMILES:
CSC(=C(c1ccc(cc1)C)Br)SC
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.249g/mol
Monoisotopic Mass:
287.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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