CID 2731100

71205-41-9

Structural Information

Molecular Formula

C₈H₁₀N₂S₂

SMILES

CSC1=CC=CC(=C1)NC(=S)N

InChI

InChI=1S/C8H10N2S2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

InChIKey

LXQSOEIIWYHVFA-UHFFFAOYSA-N

Compound name

(3-methylsulfanylphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 210
Patents: 198.02853 Da
Monoisotopic Mass: 2.2
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]+	199.03581	138.5
[M+Na]+	221.01775	148.3
[M+NH4]+	216.06235	147.7
[M+K]+	236.99169	138.9
[M-H]-	197.02125	142.1
[M+Na-2H]-	219.00320	144.0
[M]+	198.02798	141.7
[M]-	198.02908	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe