CID 3003720

N,n'-(1,4-phenylene)bis(hydrazinecarbothioamide)

Structural Information

Molecular Formula
C8H12N6S2
SMILES
C1=CC(=CC=C1NC(=S)NN)NC(=S)NN
InChI
InChI=1S/C8H12N6S2/c9-13-7(15)11-5-1-2-6(4-3-5)12-8(16)14-10/h1-4H,9-10H2,(H2,11,13,15)(H2,12,14,16)
InChIKey
DDSHOJSJWVALFB-UHFFFAOYSA-N
Compound name
1-amino-3-[4-(aminocarbamothioylamino)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

256.0565 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06378 147.9
[M+Na]+ 279.04572 151.5
[M-H]- 255.04922 149.2
[M+NH4]+ 274.09032 162.3
[M+K]+ 295.01966 145.3
[M+H-H2O]+ 239.05376 139.4
[M+HCOO]- 301.05470 163.3
[M+CH3COO]- 315.07035 205.0
[M+Na-2H]- 277.03117 150.3
[M]+ 256.05595 140.9
[M]- 256.05705 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe