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Chemical ID: 6560921
Chemical ID:
6560921
Name [?]:
N-(2-methylsulfanylphenyl)-2-phenylsulfanyl-acetamide
SMILES [?]:
CSc1ccccc1NC(=O)CSc2ccccc2
InChi [?]:
InChI=1/C15H15NOS2/c1-18-14-10-6-5-9-13(14)16-15(17)11-19-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,6,5,15,19,7,4,12,14,8,3,10,9,11,2,13/E:(3,4)(7,8)/rA:19nCSCCCCCCNCOCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NOS2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59654 |
Area: | 489.783 |
Solvation: | -2.64804 |
Coulombic: | -23.4848 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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