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138709-32-7 | Benzene, 1,1'-thiobis[2-bromo-4,5-bis(methylthio)- (9CI)
CAS No: 138709-32-7 Catalog No: AG00191H MDL No:
Product Description
Catalog Number:
AG00191H
Chemical Name:
Benzene, 1,1'-thiobis[2-bromo-4,5-bis(methylthio)- (9CI)
CAS Number:
138709-32-7
Molecular Formula:
C16H16Br2S5
Molecular Weight:
528.4312
IUPAC Name:
1-bromo-2-[2-bromo-4,5-bis(methylsulfanyl)phenyl]sulfanyl-4,5-bis(methylsulfanyl)benzene
InChI:
InChI=1S/C16H16Br2S5/c1-19-13-5-9(17)11(7-15(13)21-3)23-12-8-16(22-4)14(20-2)6-10(12)18/h5-8H,1-4H3
InChI Key:
MYHKAIJSVPIFHN-UHFFFAOYSA-N
SMILES:
CSc1cc(Sc2cc(SC)c(cc2Br)SC)c(cc1SC)Br
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.82g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.412g/mol
Monoisotopic Mass:
525.822g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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