ChemDB: Chemical Search
Download
Chemical ID: 3993695
Chemical ID:
3993695
Name [?]:
methyl 2-amino-4,5-dimethyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(sc(c1C(=O)OC)N)C
InChi [?]:
InChI=1/C8H11NO2S/c1-4-5(2)12-7(9)6(4)8(10)11-3/h9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,2,3,6,5,7,11,8,9,4/rA:12nCCCSCCCOOCNC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11NO2S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13093 |
Area: | 346.37 |
Solvation: | -1.52831 |
Coulombic: | -36.4646 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.244 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.91 |
LogP (Chemaxon): | 1.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|