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401936-07-0 | Benzothiazole, 2,4,5-trimethyl- (9CI)
CAS No: 401936-07-0 Catalog No: AG00CL8Q MDL No:MFCD00643246
Product Description
Catalog Number:
AG00CL8Q
Chemical Name:
Benzothiazole, 2,4,5-trimethyl- (9CI)
CAS Number:
401936-07-0
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD00643246
IUPAC Name:
2,4,5-trimethyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NS/c1-6-4-5-9-10(7(6)2)11-8(3)12-9/h4-5H,1-3H3
InChI Key:
XUKYAGRJUUZOCZ-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)ccc(c2C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.265g/mol
Monoisotopic Mass:
177.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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