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27602-51-3 | 1,3,4-Thiadiazole, 2-(dibromomethyl)-5-(methylsulfonyl)-
CAS No: 27602-51-3 Catalog No: AG002U6S MDL No:
Product Description
Catalog Number:
AG002U6S
Chemical Name:
1,3,4-Thiadiazole, 2-(dibromomethyl)-5-(methylsulfonyl)-
CAS Number:
27602-51-3
Molecular Formula:
C4H4Br2N2O2S2
Molecular Weight:
336.0248
IUPAC Name:
2-(dibromomethyl)-5-methylsulfonyl-1,3,4-thiadiazole
InChI:
InChI=1S/C4H4Br2N2O2S2/c1-12(9,10)4-8-7-3(11-4)2(5)6/h2H,1H3
InChI Key:
LFPCSMIKTVQPJH-UHFFFAOYSA-N
SMILES:
BrC(c1nnc(s1)S(=O)(=O)C)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.806g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.016g/mol
Monoisotopic Mass:
333.808g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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