Chemical ID: 7087911

CCOC(=O)c1nnc(s1)C(C)(C)C
Chemical ID:
7087911
Name [?]:
ethyl 5-tert-butyl-1,3,4-thiadiazole-2-carboxylate
SMILES [?]:
CCOC(=O)c1nnc(s1)C(C)(C)C
InChi [?]:
InChI=1/C9H14N2O2S/c1-5-13-7(12)6-10-11-8(14-6)9(2,3)4/h5H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,13,14,2,6,4,9,11,7,8,5,3,10/E:(2,3,4)/rA:14nCCOCOCNNCSCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14N2O2S
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.49802
Area:401.779
Solvation:-1.54646
Coulombic:-25.7573
Bond Count [?]
All:14
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:214.286
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.23
LogP (Chemaxon):1.6

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