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68386-29-8 | Benzothiazole, 2-methyl-5-(methylthio)-
CAS No: 68386-29-8 Catalog No: AG006KSR MDL No:MFCD00462383
Product Description
Catalog Number:
AG006KSR
Chemical Name:
Benzothiazole, 2-methyl-5-(methylthio)-
CAS Number:
68386-29-8
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
MDL Number:
MFCD00462383
IUPAC Name:
2-methyl-5-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NS2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChI Key:
DKCBZKUWJRXHQW-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)nc(s2)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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