CID 570953

5-chloro-3-(methylsulfanyl)-1,2,4-thiadiazole

Structural Information

Molecular Formula
C3H3ClN2S2
SMILES
CSC1=NSC(=N1)Cl
InChI
InChI=1S/C3H3ClN2S2/c1-7-3-5-2(4)8-6-3/h1H3
InChIKey
IFRYKIFAMMXTOF-UHFFFAOYSA-N
Compound name
5-chloro-3-methylsulfanyl-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

165.94261 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.94989 124.8
[M+Na]+ 188.93183 137.1
[M-H]- 164.93533 127.0
[M+NH4]+ 183.97643 146.7
[M+K]+ 204.90577 133.3
[M+H-H2O]+ 148.93987 120.2
[M+HCOO]- 210.94081 134.0
[M+CH3COO]- 224.95646 139.1
[M+Na-2H]- 186.91728 125.9
[M]+ 165.94206 129.2
[M]- 165.94316 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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