Chemical ID: 5309512

CC(C)c1c(snn1)C(=O)OC
Chemical ID:
5309512
Name [?]:
methyl 4-isopropylthiadiazole-5-carboxylate
SMILES [?]:
CC(C)c1c(snn1)C(=O)OC
InChi [?]:
InChI=1/C7H10N2O2S/c1-4(2)5-6(7(10)11-3)12-9-8-5/h4H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,12,2,4,5,9,8,7,10,11,6/E:(1,2)/rA:12nCCCCCSNNCOOC/rB:s1;s2;s2;d4;s5;s6;s4d7;s5;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2O2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.05452
Area:348.67
Solvation:-1.66223
Coulombic:-21.271
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:186.233
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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