CID 22556397

174728-86-0

Structural Information

Molecular Formula
C11H10N2S3
SMILES
C=CC1=CC=C(C=C1)CSC2=NNC(=S)S2
InChI
InChI=1S/C11H10N2S3/c1-2-8-3-5-9(6-4-8)7-15-11-13-12-10(14)16-11/h2-6H,1,7H2,(H,12,14)
InChIKey
DIJJEDVDBPLRLK-UHFFFAOYSA-N
Compound name
5-[(4-ethenylphenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

266.0006 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00788 152.4
[M+Na]+ 288.98982 163.9
[M-H]- 264.99332 155.2
[M+NH4]+ 284.03442 168.7
[M+K]+ 304.96376 154.6
[M+H-H2O]+ 248.99786 146.7
[M+HCOO]- 310.99880 158.7
[M+CH3COO]- 325.01445 163.5
[M+Na-2H]- 286.97527 150.7
[M]+ 266.00005 152.7
[M]- 266.00115 152.7
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

patents stripe