5450-28-2
N-[4-[(PROP-2-ENYLTHIOCARBAMOYLAMINO)SULFAMOYL]PHENYL]ACETAMIDE SULFURIC ACID
NameN-[4-[(PROP-2-ENYLTHIOCARBAMOYLAMINO)SULFAMOYL]PHENYL]ACETAMIDE SULFURIC ACID
FormulaC12 H16 N4 O3 S2 . H2 O4 S
1Identification
【Name】
N-[4-[(PROP-2-ENYLTHIOCARBAMOYLAMINO)SULFAMOYL]PHENYL]ACETAMIDE SULFURIC ACID
【CAS】
【MDL】
MFCD19705248
【English Synonyms】
【Formula】
C12 H16 N4 O3 S2 . H2 O4 S
【MolWeight】
426.493
【Inchi】
InChI=1S/C12H16N4O3S2.H2O4S/c1-3-8-13-12(20)15-16-21(18,19)11-6-4-10(5-7-11)14-9(2)17;1-5(2,3)4/h3-7,16H,1,8H2,2H3,(H,14,17)(H2,13,15,20);(H2,1,2,3,4)
【InChIKey】
InChIKey=YOGQSUMTXJGGHD-UHFFFAOYSA-N
【SMILES】
CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=S)NCC=C.OS(=O)(=O)O
【MOL File】
N-[4-[(PROP-2-ENYLTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-[(PROP-2-ENYLTHIOCARBAMOYLAMINO)SULFAMOYL]PHENYL]ACETAMIDE SULFURIC ACID.cml