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80689-37-8 | Benzothiazole, 2,4,6-trimethyl- (9CI)
CAS No: 80689-37-8 Catalog No: AG00GC8G MDL No:MFCD07082698
Product Description
Catalog Number:
AG00GC8G
Chemical Name:
Benzothiazole, 2,4,6-trimethyl- (9CI)
CAS Number:
80689-37-8
Molecular Formula:
C10H11NS
Molecular Weight:
177.2660
MDL Number:
MFCD07082698
IUPAC Name:
2,4,6-trimethyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NS/c1-6-4-7(2)10-9(5-6)12-8(3)11-10/h4-5H,1-3H3
InChI Key:
YOADQNKYRAUMLQ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)sc(n2)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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