CID 2795366

N-(2-mercaptophenyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C13H12N2S2
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2S
InChI
InChI=1S/C13H12N2S2/c16-12-9-5-4-8-11(12)15-13(17)14-10-6-2-1-3-7-10/h1-9,16H,(H2,14,15,17)
InChIKey
VBSNXUWQQVRWSR-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-sulfanylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

260.0442 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05148 153.2
[M+Na]+ 283.03342 160.2
[M-H]- 259.03692 159.4
[M+NH4]+ 278.07802 169.9
[M+K]+ 299.00736 153.4
[M+H-H2O]+ 243.04146 145.9
[M+HCOO]- 305.04240 168.0
[M+CH3COO]- 319.05805 164.5
[M+Na-2H]- 281.01887 156.3
[M]+ 260.04365 152.4
[M]- 260.04475 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.