CID 18967131

6-methanesulfonyl-1,3-benzothiazole-2-thiol

Structural Information

Molecular Formula
C8H7NO2S3
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)NC(=S)S2
InChI
InChI=1S/C8H7NO2S3/c1-14(10,11)5-2-3-6-7(4-5)13-8(12)9-6/h2-4H,1H3,(H,9,12)
InChIKey
YBSMSNSADXVROP-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-3H-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

244.9639 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97118 151.2
[M+Na]+ 267.95312 162.5
[M+NH4]+ 262.99772 159.6
[M+K]+ 283.92706 153.2
[M-H]- 243.95662 151.9
[M+Na-2H]- 265.93857 154.3
[M]+ 244.96335 154.4
[M]- 244.96445 154.4
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