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Chemical ID: 4944192
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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