531538-14-4
3-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
Name
3-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
Formula
C18 H13 Cl N2 O3 S2
MolWeight
404.897
1Identification
【Name】
3-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD03567097
【English Synonyms】
【Formula】
C18 H13 Cl N2 O3 S2
【MolWeight】
404.897
【Inchi】
InChI=1S/C18H13ClN2O3S2/c1-9-6-7-10(17(23)24)8-12(9)20-18(25)21-16(22)15-14(19)11-4-2-3-5-13(11)26-15/h2-8H,1H3,(H,23,24)(H2,20,21,22,25)
【InChIKey】
InChIKey=WANHPXQKLIXKSP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=S)NC(=O)c2c(c3ccccc3s2)Cl)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-[[[[(3-CHLOROBENZO[B]THIEN-2-YL)CARBONYL]AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U75921 nullnull
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Catalog No:U75921 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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