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34897-39-7 | 2-Benzothiazoleethanethioicacid(9CI)
CAS No: 34897-39-7 Catalog No: AG00CPCC MDL No:
Product Description
Catalog Number:
AG00CPCC
Chemical Name:
2-Benzothiazoleethanethioicacid(9CI)
CAS Number:
34897-39-7
IUPAC Name:
2-(1,3-benzothiazol-2-yl)ethanethioic S-acid
InChI:
InChI=1S/C9H7NOS2/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)
InChI Key:
WWIBNGQMJANCCI-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:
208.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.281g/mol
Monoisotopic Mass:
208.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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