CID 292326

2-methyl-1,2-benzisothiazole-3(2h)-thione

Structural Information

Molecular Formula
C8H7NS2
SMILES
CN1C(=S)C2=CC=CC=C2S1
InChI
InChI=1S/C8H7NS2/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3
InChIKey
RHJDOWRMOQVRAU-UHFFFAOYSA-N
Compound name
2-methyl-1,2-benzothiazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.002 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.009276 130.6
[M+Na]+ 203.991218 144.2
[M-H]- 179.994724 135.4
[M+NH4]+ 199.035823 154.0
[M+K]+ 219.965158 139.2
[M+H-H2O]+ 163.999260 126.1
[M+HCOO]- 226.000201 145.9
[M+CH3COO]- 240.015851 145.8
[M+Na-2H]- 201.976666 133.8
[M]+ 181.00145142 135.4
[M]- 181.00254858 135.4
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

patents stripe