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22946-45-8 | Benzene, [1,2,2-tris(methylthio)ethenyl]-
CAS No: 22946-45-8 Catalog No: AG002LMU MDL No:
Product Description
Catalog Number:
AG002LMU
Chemical Name:
Benzene, [1,2,2-tris(methylthio)ethenyl]-
CAS Number:
22946-45-8
Molecular Formula:
C11H14S3
Molecular Weight:
242.4239
IUPAC Name:
1,2,2-tris(methylsulfanyl)ethenylbenzene
InChI:
InChI=1S/C11H14S3/c1-12-10(11(13-2)14-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
HKVSKEYOVYWNIQ-UHFFFAOYSA-N
SMILES:
CSC(=C(SC)SC)c1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.413g/mol
Monoisotopic Mass:
242.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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