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138709-30-5 | Benzene, 4-bromo-1,2-bis(methylthio)-
CAS No: 138709-30-5 Catalog No: AG00191I MDL No:
Product Description
Catalog Number:
AG00191I
Chemical Name:
Benzene, 4-bromo-1,2-bis(methylthio)-
CAS Number:
138709-30-5
Molecular Formula:
C8H9BrS2
Molecular Weight:
249.1911
IUPAC Name:
4-bromo-1,2-bis(methylsulfanyl)benzene
InChI:
InChI=1S/C8H9BrS2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
InChI Key:
JIJQBCDBTWLPTA-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)ccc1SC
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.184g/mol
Monoisotopic Mass:
247.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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