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Chemical ID: 4735844
Chemical ID:
4735844
Name [?]:
2-(2-chlorophenoxy)thioacetamide
SMILES [?]:
c1ccc(c(c1)OCC(=S)N)Cl
InChi [?]:
InChI=1/C8H8ClNOS/c9-6-3-1-2-4-7(6)11-5-8(10)12/h1-4H,5H2,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,8,4,5,9,12,11,7,10/rA:12nCCCCCCOCCSNCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8ClNOS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.75578 |
Area: | 361.917 |
Solvation: | -2.29215 |
Coulombic: | -26.1259 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.674 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.78 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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