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96963-10-9 | 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS No: 96963-10-9 Catalog No: AG01DWXI MDL No:MFCD30148169
Product Description
Catalog Number:
AG01DWXI
Chemical Name:
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
CAS Number:
96963-10-9
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD30148169
IUPAC Name:
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole
InChI:
InChI=1S/C8H11NS/c1-6-2-3-7-8(4-6)10-5-9-7/h5-6H,2-4H2,1H3
InChI Key:
OSAVKXRNTRCRJX-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)scn2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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