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29577-87-5 | Diazene, (4-chloro-2-methylphenyl)[(1,1-dimethylethyl)thio]-, (E)- (9CI)
CAS No: 29577-87-5 Catalog No: AG002YSK MDL No:
Product Description
Catalog Number:
AG002YSK
Chemical Name:
Diazene, (4-chloro-2-methylphenyl)[(1,1-dimethylethyl)thio]-, (E)- (9CI)
CAS Number:
29577-87-5
Molecular Formula:
C11H15ClN2S
Molecular Weight:
242.7682
IUPAC Name:
tert-butylsulfanyl-(4-chloro-2-methylphenyl)diazene
InChI:
InChI=1S/C11H15ClN2S/c1-8-7-9(12)5-6-10(8)13-14-15-11(2,3)4/h5-7H,1-4H3
InChI Key:
GLCBTLUAAZXGAQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)/N=N/SC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.765g/mol
Monoisotopic Mass:
242.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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