Chemical ID: 4662956

c1ccc(cc1)Nc2nc(ns2)N
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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