Chemical ID: 3998937

c1ccc(cc1)Nc2nncs2
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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Descriptor Annotations

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