Home Halogens 2-bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole

2-bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole

CAS No.:
1369135-69-2
Catalog Number:
AG01DQSR
Molecular Formula:
C9H12BrNS
Molecular Weight:
246.1673
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Product Description
Catalog Number:
AG01DQSR
Chemical Name:
2-bromo-6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS Number:
1369135-69-2
Molecular Formula:
C9H12BrNS
Molecular Weight:
246.1673
MDL Number:
MFCD22033877
IUPAC Name:
2-bromo-6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole
InChI:
InChI=1S/C9H12BrNS/c1-9(2)4-3-6-7(5-9)12-8(10)11-6/h3-5H2,1-2H3
InChI Key:
WFTILCWJUXYCIR-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)CC(CC2)(C)C
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.987g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.166g/mol
Monoisotopic Mass:
244.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties