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Home > Thiazole > 1880478-90-9
1880478-90-9 | 6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS No: 1880478-90-9 Catalog No: AG01DZ6L MDL No:MFCD31617591
Product Description
Catalog Number:
AG01DZ6L
Chemical Name:
6,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS Number:
1880478-90-9
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD31617591
IUPAC Name:
6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazole
InChI:
InChI=1S/C9H13NS/c1-9(2)4-3-7-8(5-9)11-6-10-7/h6H,3-5H2,1-2H3
InChI Key:
KAFKFAKYKJVADZ-UHFFFAOYSA-N
SMILES:
CC1(C)CCc2c(C1)scn2
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.27g/mol
Monoisotopic Mass:
167.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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