CID 3001791

6964-10-9

Structural Information

Molecular Formula
C9H8N2S2
SMILES
C1=CC=C(C=C1)C2=C(SC(=S)N2)N
InChI
InChI=1S/C9H8N2S2/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)
InChIKey
DFBLEVVSFACJOY-UHFFFAOYSA-N
Compound name
5-amino-4-phenyl-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

208.0129 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.020176 139.3
[M+Na]+ 231.002118 150.2
[M-H]- 207.005624 143.9
[M+NH4]+ 226.046723 158.8
[M+K]+ 246.976058 143.1
[M+H-H2O]+ 191.010160 133.7
[M+HCOO]- 253.011101 153.3
[M+CH3COO]- 267.026751 152.3
[M+Na-2H]- 228.987566 139.8
[M]+ 208.01235142 138.0
[M]- 208.01344858 138.0
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