CID 3038236

M-benzenedicarbamic acid, tetrathio-, dimethyl ester

Structural Information

Molecular Formula
C10H12N2S4
SMILES
CSC(=S)NC1=CC(=CC=C1)NC(=S)SC
InChI
InChI=1S/C10H12N2S4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKey
UMYJVVGMAQNMOO-UHFFFAOYSA-N
Compound name
methyl N-[3-(methylsulfanylcarbothioylamino)phenyl]carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.98834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.99562 158.7
[M+Na]+ 310.97756 164.2
[M-H]- 286.98106 158.9
[M+NH4]+ 306.02216 172.8
[M+K]+ 326.95150 153.5
[M+H-H2O]+ 270.98560 151.4
[M+HCOO]- 332.98654 158.3
[M+CH3COO]- 347.00219 202.3
[M+Na-2H]- 308.96301 158.3
[M]+ 287.98779 154.4
[M]- 287.98889 154.4
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.