530138-35-3
3,5-DIIODO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
3,5-DIIODO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H11 I2 N3 O5 S
MolWeight
611.145
1Identification
【Name】
3,5-DIIODO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03564347
【English Synonyms】
【Formula】
C16 H11 I2 N3 O5 S
【MolWeight】
611.145
【Inchi】
InChI=1S/C16H11I2N3O5S/c1-7-4-8(2-3-12(7)21(25)26)14(22)20-16(27)19-13-10(15(23)24)5-9(17)6-11(13)18/h2-6H,1H3,(H,23,24)(H2,19,20,22,27)
【InChIKey】
InChIKey=TUAXSKKKZMWZCE-UHFFFAOYSA-N
【SMILES】
Cc1cc(ccc1[N+](=O)[O-])C(=O)NC(=S)Nc2c(cc(cc2I)I)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIIODO-2-[[[(3-METHYL-4-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U84329 nullnull
Country/Region:United States
Business Type:Trading Company
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