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134900-98-4 | 2(3H)-Benzothiazolethione, 3-[(4-ethenylphenyl)methyl]-
CAS No: 134900-98-4 Catalog No: AG007LPZ MDL No:
Product Description
Catalog Number:
AG007LPZ
Chemical Name:
2(3H)-Benzothiazolethione, 3-[(4-ethenylphenyl)methyl]-
CAS Number:
134900-98-4
Molecular Formula:
C16H13NS2
Molecular Weight:
283.4111
IUPAC Name:
3-[(4-ethenylphenyl)methyl]-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C16H13NS2/c1-2-12-7-9-13(10-8-12)11-17-14-5-3-4-6-15(14)19-16(17)18/h2-10H,1,11H2
InChI Key:
XLSNCAMAWUFUPG-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)Cn1c(=S)sc2c1cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.407g/mol
Monoisotopic Mass:
283.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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