Chemical ID: 7218338

c1ccc2c(c1)nc(s2)Sc3c(non3)N
Chemical ID:
7218338
Name [?]:
4-benzothiazol-2-ylsulfanyl-1,2,5-oxadiazol-3-amine
SMILES [?]:
c1ccc2c(c1)nc(s2)Sc3c(non3)N
InChi [?]:
InChI=1/C9H6N4OS2/c10-7-8(13-14-12-7)16-9-11-5-3-1-2-4-6(5)15-9/h1-4H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,11,8,16,7,13,15,14,9,10/rA:16nCCCCCCNCSSCCNONN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;d12;s13;d11s14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4OS2
All Atoms:22
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.58046
Area:402.855
Solvation:-1.49092
Coulombic:-28.4461
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.302
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.27
LogP (Chemaxon):4.03

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Descriptor Annotations

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