Chemical ID: 6500944

Cc1ccc(cc1)N=c2[nH]c(=N)ss2
Chemical ID:
6500944
Name [?]:
N'-(p-tolyl)-1,2,4-dithiazolidine-3,5-diimine
SMILES [?]:
Cc1ccc(cc1)N=c2[nH]c(=N)ss2
InChi [?]:
InChI=1/C9H9N3S2/c1-6-2-4-7(5-3-6)11-9-12-8(10)13-14-9/h2-5H,1H3,(H2,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,11,9,12,8,10,13,14/E:(2,3)(4,5)/rA:14nCCCCCCCNCNCNSS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;w11;s11;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.6561
Area:394.399
Solvation:-1.20388
Coulombic:-30.9235
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:223.32
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):3.68

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Descriptor Annotations

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