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Chemical ID: 4662956
Chemical ID:
4662956
Name [?]:
N'-phenyl-1,2,4-thiadiazole-3,5-diamine
SMILES [?]:
c1ccc(cc1)Nc2nc(ns2)N
InChi [?]:
InChI=1/C8H8N4S/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,8,13,7,9,11,12/E:(2,3)(4,5)/rA:13nCCCCCCNCNCNSN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60196 |
Area: | 348.277 |
Solvation: | -1.10495 |
Coulombic: | -40.181 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.242 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.01 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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