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203395-29-3 | Benzothiazole, 5-bromo-2-(methylthio)-
CAS No: 203395-29-3 Catalog No: AG0028V6 MDL No:MFCD01935107
Product Description
Catalog Number:
AG0028V6
Chemical Name:
Benzothiazole, 5-bromo-2-(methylthio)-
CAS Number:
203395-29-3
Molecular Formula:
C8H6BrNS2
Molecular Weight:
260.1739
MDL Number:
MFCD01935107
IUPAC Name:
5-bromo-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6BrNS2/c1-11-8-10-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3
InChI Key:
PSMLEPVOELTZAZ-UHFFFAOYSA-N
SMILES:
CSc1nc2c(s1)ccc(c2)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.913g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.167g/mol
Monoisotopic Mass:
258.913g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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