535980-17-7
3-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Name
3-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
Formula
C16 H12 I2 N2 O3 S
MolWeight
566.148
1Identification
【Name】
3-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03573299
【English Synonyms】
【Formula】
C16 H12 I2 N2 O3 S
【MolWeight】
566.148
【Inchi】
InChI=1S/C16H12I2N2O3S/c1-8-10(15(22)23)3-2-4-13(8)19-16(24)20-14(21)11-7-9(17)5-6-12(11)18/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)
【InChIKey】
InChIKey=WPPYWJKABNPOQY-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1NC(=S)NC(=O)c2cc(ccc2I)I)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[[[(2,5-DIIODOBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U86976 nullnull
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Catalog No:U86976 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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