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41387-91-1
4-(1,3-BENZOTHIAZOL-2-YL)BUTANOIC ACID
Name
4-(1,3-BENZOTHIAZOL-2-YL)BUTANOIC ACID
Formula
C11 H11 N O2 S
MolWeight
221.279
1Identification
【Name】
4-(1,3-BENZOTHIAZOL-2-YL)BUTANOIC ACID
【CAS】
【MDL】
MFCD00160099
【English Synonyms】
【Formula】
C11 H11 N O2 S
【MolWeight】
221.279
【Inchi】
InChI=1S/C11H11NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,13,14)
【InChIKey】
InChIKey=DOTLYHUQAIHKEV-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)nc(s2)CCCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(1,3-BENZOTHIAZOL-2-YL)BUTANOIC ACID.cml
Quick Release
[(5-([METHYL(3-METHYLBUTYL)AMINO]METHYL)FURAN-2-YL)METHYL](PROPAN-2-YL)AMINE
(3-([METHYL(3-METHYLBUTYL)AMINO]METHYL)-1-BENZOFURAN-2-YL)METHANAMINE
(2-[(2-METHOXYETHYL)(1-METHOXYPROPAN-2-YL)AMINO]BUTYL)(2-METHYLPROPYL)AMINE
[3-(CYCLOPROPYLAMINO)-2-METHYLPROPYL](2-METHOXYETHYL)(1-METHOXYPROPAN-2-YL)AMINE
(3-[(2-METHOXYETHYL)(1-METHOXYPROPAN-2-YL)AMINO]PROPYL)(2-METHYLPROPYL)AMINE
(5-([(2-METHOXYETHYL)(1-METHOXYPROPAN-2-YL)AMINO]METHYL)-1,2-OXAZOL-3-YL)METHANAMINE
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Catalog No:41387-91-1 up to kgs
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Aroma Circle Corp.
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ACC Corporation
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Zelinsky Institute Inc.
Catalog No:B035136 25G
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