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171874-47-8 | 2(3H)-Benzothiazolethione,4-(hydroxymethyl)-(9CI)
CAS No: 171874-47-8 Catalog No: AG00BA47 MDL No:
Product Description
Catalog Number:
AG00BA47
Chemical Name:
2(3H)-Benzothiazolethione,4-(hydroxymethyl)-(9CI)
CAS Number:
171874-47-8
IUPAC Name:
4-(hydroxymethyl)-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C8H7NOS2/c10-4-5-2-1-3-6-7(5)9-8(11)12-6/h1-3,10H,4H2,(H,9,11)
InChI Key:
WPLOQDMZUMDHQK-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:
196.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.27g/mol
Monoisotopic Mass:
196.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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