CID 756549

4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbothioamide

Structural Information

Molecular Formula
C10H9N3S3
SMILES
C1=CC=C(C=C1)N2C(=C(SC2=S)C(=S)N)N
InChI
InChI=1S/C10H9N3S3/c11-8-7(9(12)14)16-10(15)13(8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,14)
InChIKey
HNLOMFYTDBCPLD-UHFFFAOYSA-N
Compound name
4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.99585 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00313 152.2
[M+Na]+ 289.98507 161.9
[M+NH4]+ 285.02967 160.7
[M+K]+ 305.95901 152.9
[M-H]- 265.98857 156.4
[M+Na-2H]- 287.97052 156.9
[M]+ 266.99530 155.9
[M]- 266.99640 155.9
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

No patent data available for this compound.