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2786-37-0 | Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-
CAS No: 2786-37-0 Catalog No: AG002UYU MDL No:
Product Description
Catalog Number:
AG002UYU
Chemical Name:
Benzothiazole, 2,3-dihydro-2,2,3-trimethyl-
CAS Number:
2786-37-0
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
IUPAC Name:
2,2,3-trimethyl-1,3-benzothiazole
InChI:
InChI=1S/C10H13NS/c1-10(2)11(3)8-6-4-5-7-9(8)12-10/h4-7H,1-3H3
InChI Key:
ODZISWCHQQOYGL-UHFFFAOYSA-N
SMILES:
CN1c2ccccc2SC1(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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