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Chemical ID: 6532279
Chemical ID:
6532279
Name [?]:
methyl 2-(2-imino-3H-thiazol-4-yl)acetate
SMILES [?]:
COC(=O)Cc1csc(=N)[nH]1
InChi [?]:
InChI=1/C6H8N2O2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8)
InChi Info:
AuxInfo=1/1/N:1,5,7,6,3,9,10,11,4,2,8/rA:11nCOCOCCCSCNN/rB:s1;s2;d3;s3;s5;d6;s7;s8;w9;s6s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8N2O2S |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.5916 |
Area: | 333.567 |
Solvation: | -2.74758 |
Coulombic: | -39.7835 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.206 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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