530153-47-0
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
Name2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
FormulaC15 H10 Cl I N2 O3 S
1Identification
【Name】
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID
【CAS】
【MDL】
MFCD03565161
【English Synonyms】
【Formula】
C15 H10 Cl I N2 O3 S
【MolWeight】
460.674
【Inchi】
InChI=1S/C15H10ClIN2O3S/c16-9-3-1-2-8(6-9)13(20)19-15(23)18-12-5-4-10(17)7-11(12)14(21)22/h1-7H,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=PYMSFJVVTVCMOP-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Cl)C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【MOL File】
2-[[[(3-CHLOROBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(3-CHLOROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOIC ACID.cml