Chemical ID: 6833199

Cc1ccc(cc1NC(=O)C[S-])Cl
Chemical ID:
6833199
Name [?]:
2-(5-chloro-2-methyl-phenyl)amino-2-oxo-ethanethiolate
SMILES [?]:
Cc1ccc(cc1NC(=O)C[S-])Cl
InChi [?]:
InChI=1/C9H10ClNOS/c1-6-2-3-7(10)4-8(6)11-9(12)5-13/h2-4,13H,5H2,1H3,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,4,6,11,2,5,7,9,13,8,10,12/rA:13nCCCCCCCNCOCS-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClNOS-
All Atoms:22
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-29.1542
Area:382.973
Solvation:-38.7285
Coulombic:-6.66588
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:214.693
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.27
LogP (Chemaxon):1.74

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Descriptor Annotations

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