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Chemical ID: 6390173
Chemical ID:
6390173
Name [?]:
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-acetamide
SMILES [?]:
CCSc1nnc(s1)NC(=O)CCl
InChi [?]:
InChI=1/C6H8ClN3OS2/c1-2-12-6-10-9-5(13-6)8-4(11)3-7/h2-3H2,1H3,(H,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,12,10,7,4,13,9,6,5,11,3,8/rA:13nCCSCNNCSNCOCCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8ClN3OS2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16024 |
Area: | 412.592 |
Solvation: | -3.15456 |
Coulombic: | -24.7046 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 237.732 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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