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Home > Bromides > 1215205-85-8
1215205-85-8 | 2(3H)-Benzothiazolethione, 5-bromo-6-methoxy-
CAS No: 1215205-85-8 Catalog No: AG00155A MDL No:MFCD15143549
Product Description
Catalog Number:
AG00155A
Chemical Name:
2(3H)-Benzothiazolethione, 5-bromo-6-methoxy-
CAS Number:
1215205-85-8
Molecular Formula:
C8H6BrNOS2
Molecular Weight:
276.1733
MDL Number:
MFCD15143549
IUPAC Name:
5-bromo-6-methoxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H6BrNOS2/c1-11-6-3-7-5(2-4(6)9)10-8(12)13-7/h2-3H,1H3,(H,10,12)
InChI Key:
PHAGEHCGWCLLAJ-UHFFFAOYSA-N
SMILES:
COc1cc2sc(=S)[nH]c2cc1Br
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.907g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.166g/mol
Monoisotopic Mass:
274.907g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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