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119361-11-4 | 1,3-Benzenediamine, 2,4-bis(ethylthio)-6-methyl-
CAS No: 119361-11-4 Catalog No: AG000INL MDL No:
Product Description
Catalog Number:
AG000INL
Chemical Name:
1,3-Benzenediamine, 2,4-bis(ethylthio)-6-methyl-
CAS Number:
119361-11-4
Molecular Formula:
C11H18N2S2
Molecular Weight:
242.4040
IUPAC Name:
2,4-bis(ethylsulfanyl)-6-methylbenzene-1,3-diamine
InChI:
InChI=1S/C11H18N2S2/c1-4-14-8-6-7(3)9(12)11(10(8)13)15-5-2/h6H,4-5,12-13H2,1-3H3
InChI Key:
MSRYWPZMKNTNMA-UHFFFAOYSA-N
SMILES:
CCSc1cc(C)c(c(c1N)SCC)N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.399g/mol
Monoisotopic Mass:
242.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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