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Chemical ID: 3998937
Chemical ID:
3998937
Name [?]:
N-phenyl-1,3,4-thiadiazol-2-amine
SMILES [?]:
c1ccc(cc1)Nc2nncs2
InChi [?]:
InChI=1/C8H7N3S/c1-2-4-7(5-3-1)10-8-11-9-6-12-8/h1-6H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,8,10,7,9,12/E:(2,3)(4,5)/rA:12nCCCCCCNCNNCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3S |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.92146 |
Area: | 335.249 |
Solvation: | -1.45976 |
Coulombic: | -16.8267 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.227 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.89 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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