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102093-68-5 | 1,3-Benzenediamine,4-methyl-2,6-bis(methylthio)-
CAS No: 102093-68-5 Catalog No: AG0006LI MDL No:
Product Description
Catalog Number:
AG0006LI
Chemical Name:
1,3-Benzenediamine,4-methyl-2,6-bis(methylthio)-
CAS Number:
102093-68-5
Molecular Formula:
C9H14N2S2
Molecular Weight:
214.3509
IUPAC Name:
4-methyl-2,6-bis(methylsulfanyl)benzene-1,3-diamine
InChI:
InChI=1S/C9H14N2S2/c1-5-4-6(12-2)8(11)9(13-3)7(5)10/h4H,10-11H2,1-3H3
InChI Key:
AOFIWCXMXPVSAZ-UHFFFAOYSA-N
SMILES:
CSc1cc(C)c(c(c1N)SC)N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.345g/mol
Monoisotopic Mass:
214.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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