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38456-15-4 | 2-hydroxypentylthiobenzothiazole
CAS No: 38456-15-4 Catalog No: AG00CYMK MDL No:
Product Description
Catalog Number:
AG00CYMK
Chemical Name:
2-hydroxypentylthiobenzothiazole
CAS Number:
38456-15-4
IUPAC Name:
1-(1,3-benzothiazol-2-ylsulfanyl)pentan-2-ol
InChI:
InChI=1S/C12H15NOS2/c1-2-5-9(14)8-15-12-13-10-6-3-4-7-11(10)16-12/h3-4,6-7,9,14H,2,5,8H2,1H3
InChI Key:
ZLKVCTNLZKODOI-UHFFFAOYSA-N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.378g/mol
Monoisotopic Mass:
253.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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