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74537-50-1 | 6-Benzothiazolol,2-(ethylthio)-(9CI)
CAS No: 74537-50-1 Catalog No: AG00FJPC MDL No:
Product Description
Catalog Number:
AG00FJPC
Chemical Name:
6-Benzothiazolol,2-(ethylthio)-(9CI)
CAS Number:
74537-50-1
IUPAC Name:
2-ethylsulfanyl-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C9H9NOS2/c1-2-12-9-10-7-4-3-6(11)5-8(7)13-9/h3-5,11H,2H2,1H3
InChI Key:
GEXWLTFSOMTAON-UHFFFAOYSA-N
Properties
Complexity:
179
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:
4
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:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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