CID 3002240

4-thiocarbamoylmethylthiopyridine-2-carbothioamide

Structural Information

Molecular Formula
C8H9N3S3
SMILES
C1=CN=C(C=C1SCC(=S)N)C(=S)N
InChI
InChI=1S/C8H9N3S3/c9-7(12)4-14-5-1-2-11-6(3-5)8(10)13/h1-3H,4H2,(H2,9,12)(H2,10,13)
InChIKey
IZRSVBGOVLQYIC-UHFFFAOYSA-N
Compound name
4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.99586 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00314 145.9
[M+Na]+ 265.98508 152.7
[M-H]- 241.98858 145.7
[M+NH4]+ 261.02968 160.8
[M+K]+ 281.95902 144.3
[M+H-H2O]+ 225.99312 139.0
[M+HCOO]- 287.99406 150.5
[M+CH3COO]- 302.00971 194.6
[M+Na-2H]- 263.97053 144.6
[M]+ 242.99531 142.2
[M]- 242.99641 142.2
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.