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5468-43-9 | 2-Mercaptobenzothiazole, 1-(hydroxyethyl)pyridinium salt
CAS No: 5468-43-9 Catalog No: AG00E14A MDL No:
Product Description
Catalog Number:
AG00E14A
Chemical Name:
2-Mercaptobenzothiazole, 1-(hydroxyethyl)pyridinium salt
CAS Number:
5468-43-9
IUPAC Name:
1,3-benzothiazole-2-thiolate;2-pyridin-1-ium-1-ylethanol
InChI:
InChI=1S/C7H10NO.C7H5NS2/c9-7-6-8-4-2-1-3-5-8;9-7-8-5-3-1-2-4-6(5)10-7/h1-5,9H,6-7H2;1-4H,(H,8,9)/q+1;/p-1
InChI Key:
SKFKQRIBZKXTSZ-UHFFFAOYSA-M
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.399g/mol
Monoisotopic Mass:
290.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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