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Home > Bromides > 1215205-90-5
1215205-90-5 | 2(3H)-Benzothiazolethione, 4-bromo-6-chloro-
CAS No: 1215205-90-5 Catalog No: AG00156I MDL No:MFCD15143552
Product Description
Catalog Number:
AG00156I
Chemical Name:
2(3H)-Benzothiazolethione, 4-bromo-6-chloro-
CAS Number:
1215205-90-5
Molecular Formula:
C7H3BrClNS2
Molecular Weight:
280.5924
MDL Number:
MFCD15143552
IUPAC Name:
4-bromo-6-chloro-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C7H3BrClNS2/c8-4-1-3(9)2-5-6(4)10-7(11)12-5/h1-2H,(H,10,11)
InChI Key:
OEAATHCDYWJVON-UHFFFAOYSA-N
SMILES:
Clc1cc2sc(=S)[nH]c2c(c1)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.858g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.582g/mol
Monoisotopic Mass:
278.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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