CID 3440815

5-amino-1,3-thiazole-2-carbothioamide

Structural Information

Molecular Formula

C₄H₅N₃S₂

SMILES

C1=C(SC(=N1)C(=S)N)N

InChI

InChI=1S/C4H5N3S2/c5-2-1-7-4(9-2)3(6)8/h1H,5H2,(H2,6,8)

InChIKey

XGWWACYQWGKGSS-UHFFFAOYSA-N

Compound name

5-amino-1,3-thiazole-2-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.9925 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.99978	127.5
[M+Na]+	181.98172	136.8
[M-H]-	157.98522	129.4
[M+NH4]+	177.02632	148.5
[M+K]+	197.95566	132.5
[M+H-H2O]+	141.98976	121.6
[M+HCOO]-	203.99070	141.6
[M+CH3COO]-	218.00635	177.3
[M+Na-2H]-	179.96717	127.3
[M]+	158.99195	125.5
[M]-	158.99305	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe