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38985-69-2 | 2-(4-ISOTHIOCYANATO-PHENYL)-6-METHYL-BENZOTHIAZOLE
CAS No: 38985-69-2 Catalog No: AG00CZ3N MDL No:MFCD03147412
Product Description
Catalog Number:
AG00CZ3N
Chemical Name:
2-(4-ISOTHIOCYANATO-PHENYL)-6-METHYL-BENZOTHIAZOLE
CAS Number:
38985-69-2
Molecular Formula:
C15H10N2S2
Molecular Weight:
282.3833
MDL Number:
MFCD03147412
IUPAC Name:
2-(4-isothiocyanatophenyl)-6-methyl-1,3-benzothiazole
InChI:
InChI=1S/C15H10N2S2/c1-10-2-7-13-14(8-10)19-15(17-13)11-3-5-12(6-4-11)16-9-18/h2-8H,1H3
InChI Key:
LDZBSJGNFLWZNJ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.379g/mol
Monoisotopic Mass:
282.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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