Chemical ID: 6833189

CCc1cccc(c1NC(=O)C[S-])CC
Chemical ID:
6833189
Name [?]:
2-(2,6-diethylphenyl)amino-2-oxo-ethanethiolate
SMILES [?]:
CCc1cccc(c1NC(=O)C[S-])CC
InChi [?]:
InChI=1/C12H17NOS/c1-3-9-6-5-7-10(4-2)12(9)13-11(14)8-15/h5-7,15H,3-4,8H2,1-2H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,2,14,5,4,6,12,3,7,10,8,9,11,13/E:(1,2)(3,4)(6,7)(9,10)/rA:15nCCCCCCCCNCOCS-CC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s7;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16NOS-
All Atoms:31
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-29.0854
Area:410.477
Solvation:-39.3473
Coulombic:-6.32143
Bond Count [?]
All:15
Single:11
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:222.328
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.8
LogP (Chemaxon):1.83

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Descriptor Annotations

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