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820961-90-8

820961-90-8 | Benzothiazole, 2-[(1-methyl-1-phenylethyl)thio]-

CAS No: 820961-90-8 Catalog No: AG0052K2 MDL No:

Product Description

Catalog Number:
AG0052K2
Chemical Name:
Benzothiazole, 2-[(1-methyl-1-phenylethyl)thio]-
CAS Number:
820961-90-8
Molecular Formula:
C16H15NS2
Molecular Weight:
285.4270
IUPAC Name:
2-(2-phenylpropan-2-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C16H15NS2/c1-16(2,12-8-4-3-5-9-12)19-15-17-13-10-6-7-11-14(13)18-15/h3-11H,1-2H3
InChI Key:
IZAYIBCTIIKGOA-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)(Sc1nc2c(s1)cccc2)C

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.065g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.423g/mol
Monoisotopic Mass:
285.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  

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