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16407-34-4 | 2(3H)-Benzothiazolethione, 3-ethyl-
CAS No: 16407-34-4 Catalog No: AG001UMI MDL No:
Product Description
Catalog Number:
AG001UMI
Chemical Name:
2(3H)-Benzothiazolethione, 3-ethyl-
CAS Number:
16407-34-4
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
IUPAC Name:
3-ethyl-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NS2/c1-2-10-7-5-3-4-6-8(7)12-9(10)11/h3-6H,2H2,1H3
InChI Key:
HNQNFZRNOJJPFM-UHFFFAOYSA-N
SMILES:
CCn1c(=S)sc2c1cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.018g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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