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180591-20-2 | 2-Benzothiazolesulfenamide, N,N-bis(phenylmethyl)-
CAS No: 180591-20-2 Catalog No: AG002251 MDL No:
Product Description
Catalog Number:
AG002251
Chemical Name:
2-Benzothiazolesulfenamide, N,N-bis(phenylmethyl)-
CAS Number:
180591-20-2
Molecular Formula:
C21H18N2S2
Molecular Weight:
362.5110
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-1-phenylmethanamine
InChI:
InChI=1S/C21H18N2S2/c1-3-9-17(10-4-1)15-23(16-18-11-5-2-6-12-18)25-21-22-19-13-7-8-14-20(19)24-21/h1-14H,15-16H2
InChI Key:
OJHFUROULITOCP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN(Sc1nc2c(s1)cccc2)Cc1ccccc1
EC Number:
605-903-9
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.509g/mol
Monoisotopic Mass:
362.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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