Chemical ID: 4726705

C=CCNc1nnc(s1)SCC(=O)O
Chemical ID:
4726705
Name [?]:
2-[(5-allylamino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
SMILES [?]:
C=CCNc1nnc(s1)SCC(=O)O
InChi [?]:
InChI=1/C7H9N3O2S2/c1-2-3-8-6-9-10-7(14-6)13-4-5(11)12/h2H,1,3-4H2,(H,8,9)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,11,12,5,8,4,6,7,13,14,10,9/E:(11,12)/rA:14nCCCNCNNCSSCCOO/rB:d1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O2S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.33776
Area:422.143
Solvation:-2.2158
Coulombic:-45.1101
Bond Count [?]
All:14
Single:10
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:231.297
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.43
LogP (Chemaxon):1.07

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Descriptor Annotations

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