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 153.3
[M+Na]+ 289.98507 163.7
[M-H]- 265.98857 157.6
[M+NH4]+ 285.02967 170.1
[M+K]+ 305.95901 154.5
[M+H-H2O]+ 249.99311 147.2
[M+HCOO]- 311.99405 161.3
[M+CH3COO]- 326.00970 164.3
[M+Na-2H]- 287.97052 151.3
[M]+ 266.99530 151.0
[M]- 266.99640 151.0
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

patents stripe