CID 247691

S-ethyl 2-(1,3-benzothiazol-2-yl)hydrazinecarbothioate

Structural Information

Molecular Formula
C10H11N3OS2
SMILES
CCSC(=O)NNC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H11N3OS2/c1-2-15-10(14)13-12-9-11-7-5-3-4-6-8(7)16-9/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
BVFCGXKKWLKRLJ-UHFFFAOYSA-N
Compound name
S-ethyl N-(1,3-benzothiazol-2-ylamino)carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03435 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04163 149.8
[M+Na]+ 276.02357 159.2
[M-H]- 252.02707 153.3
[M+NH4]+ 271.06817 168.9
[M+K]+ 291.99751 154.1
[M+H-H2O]+ 236.03161 143.6
[M+HCOO]- 298.03255 165.3
[M+CH3COO]- 312.04820 162.1
[M+Na-2H]- 274.00902 153.8
[M]+ 253.03380 153.9
[M]- 253.03490 153.9
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

No patent data available for this compound.