CID 745321

[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea

Structural Information

Molecular Formula
C10H10N4OS2
SMILES
CSC1=NN=C(O1)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C10H10N4OS2/c1-17-10-14-13-8(15-10)6-2-4-7(5-3-6)12-9(11)16/h2-5H,1H3,(H3,11,12,16)
InChIKey
RVFZGBZWYBSRDP-UHFFFAOYSA-N
Compound name
[4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

266.0296 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.03688 155.1
[M+Na]+ 289.01882 164.7
[M-H]- 265.02232 160.1
[M+NH4]+ 284.06342 169.8
[M+K]+ 304.99276 159.8
[M+H-H2O]+ 249.02686 147.9
[M+HCOO]- 311.02780 168.5
[M+CH3COO]- 325.04345 166.8
[M+Na-2H]- 287.00427 156.0
[M]+ 266.02905 156.7
[M]- 266.03015 156.7
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

No patent data available for this compound.