Chemical ID: 4944192

CN(C)c1nc(=NCc2ccco2)ss1
Chemical ID:
4944192
Name [?]:
5-(2-furylmethylimino)-N,N-dimethyl-1,2,4-dithiazol-3-amine
SMILES [?]:
CN(C)c1nc(=NCc2ccco2)ss1
InChi [?]:
InChI=1/C9H11N3OS2/c1-12(2)9-11-8(14-15-9)10-6-7-4-3-5-13-7/h3-5H,6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,12,8,9,6,4,7,5,2,13,14,15/E:(1,2)/rA:15nCNCCNCNCCCCCOSS/rB:s1;s2;s2;d4;s5;w6;s7;s8;d9;s10;d11;s9s12;s6;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N3OS2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.00391
Area:417.707
Solvation:-2.43876
Coulombic:-26.9862
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:241.335
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.75
LogP (Chemaxon):2.99

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Descriptor Annotations

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