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Home > Thiazole > 1190316-55-2
1190316-55-2 | Benzothiazole, 5,7-dimethyl-
CAS No: 1190316-55-2 Catalog No: AG000HQ4 MDL No:MFCD12962857
Product Description
Catalog Number:
AG000HQ4
Chemical Name:
Benzothiazole, 5,7-dimethyl-
CAS Number:
1190316-55-2
Molecular Formula:
C9H9NS
Molecular Weight:
163.2395
MDL Number:
MFCD12962857
IUPAC Name:
5,7-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS/c1-6-3-7(2)9-8(4-6)10-5-11-9/h3-5H,1-2H3
InChI Key:
POEQSHVZCCZCGJ-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(c1)ncs2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.238g/mol
Monoisotopic Mass:
163.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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