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90382-09-5 | 5-ETHYL-2(3H)-BENZO[D]THIAZOLETHIONE
CAS No: 90382-09-5 Catalog No: AG006QTC MDL No:MFCD28385688
Product Description
Catalog Number:
AG006QTC
Chemical Name:
5-ETHYL-2(3H)-BENZO[D]THIAZOLETHIONE
CAS Number:
90382-09-5
Molecular Formula:
C9H9NS2
Molecular Weight:
195.3045
MDL Number:
MFCD28385688
IUPAC Name:
5-ethyl-3H-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NS2/c1-2-6-3-4-8-7(5-6)10-9(11)12-8/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
BJRSPYMMTDYKQF-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)[nH]c(=S)s2
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:
1
Isotope Atom Count:
0
Molecular Weight:
195.298g/mol
Monoisotopic Mass:
195.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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