Chemical ID: 4729631

CCOC(=O)c1c(nns1)C
Chemical ID:
4729631
Name [?]:
ethyl 4-methylthiadiazole-5-carboxylate
SMILES [?]:
CCOC(=O)c1c(nns1)C
InChi [?]:
InChI=1/C6H8N2O2S/c1-3-10-6(9)5-4(2)7-8-11-5/h3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,6,4,8,9,5,3,10/rA:11nCCOCOCCNNSC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.68643
Area:333.108
Solvation:-1.64127
Coulombic:-20.6423
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.206
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.98
LogP (Chemaxon):-0.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue