Home Other Building Blocks 2-BROMO-6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE

2-BROMO-6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE

CAS No.:
1245128-31-7
Catalog Number:
AG01DSYQ
Molecular Formula:
C8H10BrNS
Molecular Weight:
232.1407
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Product Description
Catalog Number:
AG01DSYQ
Chemical Name:
2-BROMO-6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE
CAS Number:
1245128-31-7
Molecular Formula:
C8H10BrNS
Molecular Weight:
232.1407
MDL Number:
MFCD17178659
IUPAC Name:
2-bromo-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
InChI:
InChI=1S/C8H10BrNS/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3
InChI Key:
CIBOTBULJGEUMO-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)sc(n2)Br
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.972g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.139g/mol
Monoisotopic Mass:
230.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties