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 148.2
[M+Na]+ 276.98983 160.0
[M-H]- 252.99333 151.3
[M+NH4]+ 272.03443 165.2
[M+K]+ 292.96377 151.5
[M+H-H2O]+ 236.99787 142.8
[M+HCOO]- 298.99881 154.8
[M+CH3COO]- 313.01446 159.8
[M+Na-2H]- 274.97528 147.1
[M]+ 254.00006 148.9
[M]- 254.00116 148.9
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