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767583-07-3 | 2(3H)-Benzothiazolethione,7-ethoxy-(9CI)
CAS No: 767583-07-3 Catalog No: AG00GQRI MDL No:
Product Description
Catalog Number:
AG00GQRI
Chemical Name:
2(3H)-Benzothiazolethione,7-ethoxy-(9CI)
CAS Number:
767583-07-3
IUPAC Name:
7-ethoxy-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NOS2/c1-2-11-7-5-3-4-6-8(7)13-9(12)10-6/h3-5H,2H2,1H3,(H,10,12)
InChI Key:
DRJXMMJEDPRNJY-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:
1
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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