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61551-59-5 | Benzothiazole, 5-butyl- (9CI)
CAS No: 61551-59-5 Catalog No: AG00F4T4 MDL No:
Product Description
Catalog Number:
AG00F4T4
Chemical Name:
Benzothiazole, 5-butyl- (9CI)
CAS Number:
61551-59-5
IUPAC Name:
5-butyl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS/c1-2-3-4-9-5-6-11-10(7-9)12-8-13-11/h5-8H,2-4H2,1H3
InChI Key:
RTXMMELNQPTRPE-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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