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818-41-7 | Propanamide, N,N'-1,2-ethanediylbis[3-mercapto-
CAS No: 818-41-7 Catalog No: AG005HTZ MDL No:
Product Description
Catalog Number:
AG005HTZ
Chemical Name:
Propanamide, N,N'-1,2-ethanediylbis[3-mercapto-
CAS Number:
818-41-7
Molecular Formula:
C8H16N2O2S2
Molecular Weight:
236.3548
IUPAC Name:
3-sulfanyl-N-[2-(3-sulfanylpropanoylamino)ethyl]propanamide
InChI:
InChI=1S/C8H16N2O2S2/c11-7(1-5-13)9-3-4-10-8(12)2-6-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
InChI Key:
BSICYDQQORWGMR-UHFFFAOYSA-N
SMILES:
SCCC(=O)NCCNC(=O)CCS
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
236.348g/mol
Monoisotopic Mass:
236.065g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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