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845879-07-4 | Bis(3-bromo-1,2,4-thiadiazol-5-ylsulfinyl)methane
CAS No: 845879-07-4 Catalog No: AG01F9DU MDL No:
Product Description
Catalog Number:
AG01F9DU
Chemical Name:
Bis(3-bromo-1,2,4-thiadiazol-5-ylsulfinyl)methane
CAS Number:
845879-07-4
Molecular Formula:
C5H2Br2N4O2S4
Molecular Weight:
438.1630
IUPAC Name:
3-bromo-5-[(3-bromo-1,2,4-thiadiazol-5-yl)sulfinylmethylsulfinyl]-1,2,4-thiadiazole
InChI:
InChI=1S/C5H2Br2N4O2S4/c6-2-8-4(14-10-2)16(12)1-17(13)5-9-3(7)11-15-5/h1H2
InChI Key:
DBPHBKKVSCGDOA-UHFFFAOYSA-N
SMILES:
Brc1nsc(n1)S(=O)CS(=O)c1snc(n1)Br
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.741g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.145g/mol
Monoisotopic Mass:
435.743g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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