CID 15444291

210285-93-1

Structural Information

Molecular Formula
C10H10N2S3
SMILES
CC1=CC=C(C=C1)CSC2=NNC(=S)S2
InChI
InChI=1S/C10H10N2S3/c1-7-2-4-8(5-3-7)6-14-10-12-11-9(13)15-10/h2-5H,6H2,1H3,(H,11,13)
InChIKey
YSRMWSMTNWPIDU-UHFFFAOYSA-N
Compound name
5-[(4-methylphenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.00061 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00789 149.3
[M+Na]+ 276.98983 161.6
[M+NH4]+ 272.03443 158.5
[M+K]+ 292.96377 150.8
[M-H]- 252.99333 152.8
[M+Na-2H]- 274.97528 154.6
[M]+ 254.00006 153.5
[M]- 254.00116 153.5
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