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171874-52-5 | 2(3H)-Benzothiazolethione,5-(2-hydroxyethyl)-(9CI)
CAS No: 171874-52-5 Catalog No: AG00B1D8 MDL No:
Product Description
Catalog Number:
AG00B1D8
Chemical Name:
2(3H)-Benzothiazolethione,5-(2-hydroxyethyl)-(9CI)
CAS Number:
171874-52-5
IUPAC Name:
5-(2-hydroxyethyl)-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NOS2/c11-4-3-6-1-2-8-7(5-6)10-9(12)13-8/h1-2,5,11H,3-4H2,(H,10,12)
InChI Key:
HYZGOPPGHIABKS-UHFFFAOYSA-N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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