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Home > Bromides > 1242336-64-6
1242336-64-6 | 5-Benzothiazolecarbonitrile, 6-bromo-2,3-dihydro-2-thioxo-
CAS No: 1242336-64-6 Catalog No: AG000LQD MDL No:MFCD16660295
Product Description
Catalog Number:
AG000LQD
Chemical Name:
5-Benzothiazolecarbonitrile, 6-bromo-2,3-dihydro-2-thioxo-
CAS Number:
1242336-64-6
Molecular Formula:
C8H3BrN2S2
Molecular Weight:
271.1568
MDL Number:
MFCD16660295
IUPAC Name:
6-bromo-2-sulfanylidene-3H-1,3-benzothiazole-5-carbonitrile
InChI:
InChI=1S/C8H3BrN2S2/c9-5-2-7-6(1-4(5)3-10)11-8(12)13-7/h1-2H,(H,11,12)
InChI Key:
PXRUSVYIVKWKOL-UHFFFAOYSA-N
SMILES:
N#Cc1cc2[nH]c(=S)sc2cc1Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.892g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.15g/mol
Monoisotopic Mass:
269.892g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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