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192523-62-9 | Thiophene, 3,3'-thiobis[4-bromo-2,5-bis(methylthio)- (9CI)
CAS No: 192523-62-9 Catalog No: AG002G1Z MDL No:
Product Description
Catalog Number:
AG002G1Z
Chemical Name:
Thiophene, 3,3'-thiobis[4-bromo-2,5-bis(methylthio)- (9CI)
CAS Number:
192523-62-9
Molecular Formula:
C12H12Br2S7
Molecular Weight:
540.4867
IUPAC Name:
3-bromo-4-[4-bromo-2,5-bis(methylsulfanyl)thiophen-3-yl]sulfanyl-2,5-bis(methylsulfanyl)thiophene
InChI:
InChI=1S/C12H12Br2S7/c1-15-9-5(13)7(11(17-3)20-9)19-8-6(14)10(16-2)21-12(8)18-4/h1-4H3
InChI Key:
CDNCFTRRQFJLBI-UHFFFAOYSA-N
SMILES:
CSc1sc(c(c1Sc1c(SC)sc(c1Br)SC)Br)SC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.733g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.456g/mol
Monoisotopic Mass:
537.735g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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