CID 2724564

2,5-dithiobiurea

Structural Information

Molecular Formula

C₂H₆N₄S₂

SMILES

C(=S)(N)NNC(=S)N

InChI

InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)

InChIKey

KCOYHFNCTWXETP-UHFFFAOYSA-N

Compound name

(carbamothioylamino)thiourea

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1097
Patents: 150.00339 Da
Monoisotopic Mass: -0.9
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]+	151.01067	127.2
[M+Na]+	172.99261	131.5
[M+NH4]+	168.03721	134.3
[M+K]+	188.96655	125.6
[M-H]-	148.99611	127.7
[M+Na-2H]-	170.97806	128.5
[M]+	150.00284	128.1
[M]-	150.00394	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe