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57050-78-9 | 2-hexylsulfanylbenzothiazole
CAS No: 57050-78-9 Catalog No: AG00EWZG MDL No:
Product Description
Catalog Number:
AG00EWZG
Chemical Name:
2-hexylsulfanylbenzothiazole
CAS Number:
57050-78-9
IUPAC Name:
2-hexylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C13H17NS2/c1-2-3-4-7-10-15-13-14-11-8-5-6-9-12(11)16-13/h5-6,8-9H,2-4,7,10H2,1H3
InChI Key:
LLAUXKHRACJDDF-UHFFFAOYSA-N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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