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132139-25-4 | Benzeneethanamine, α,α'-[dithiobis(methylene)]bis-, (αS,α'S)- (9CI)
CAS No: 132139-25-4 Catalog No: AG00109D MDL No:
Product Description
Catalog Number:
AG00109D
Chemical Name:
Benzeneethanamine, α,α'-[dithiobis(methylene)]bis-, (αS,α'S)- (9CI)
CAS Number:
132139-25-4
Molecular Formula:
C18H24N2S2
Molecular Weight:
332.5266
IUPAC Name:
(2S)-1-[[(2S)-2-amino-3-phenylpropyl]disulfanyl]-3-phenylpropan-2-amine
InChI:
InChI=1S/C18H24N2S2/c19-17(11-15-7-3-1-4-8-15)13-21-22-14-18(20)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14,19-20H2/t17-,18-/m0/s1
InChI Key:
HMGPKVXXJNKEBR-ROUUACIJSA-N
SMILES:
N[C@@H](Cc1ccccc1)CSSC[C@H](Cc1ccccc1)N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
332.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.524g/mol
Monoisotopic Mass:
332.138g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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