4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid

Name: 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid
Brand: ChemScene
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CAS No. 346597-52-2
Cat. No. CS-0218085
Molecule weight332.35
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid|CS-0218085

Structure of 346597-52-2

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General Information

CAS No. 346597-52-2
Cat. No. CS-0218085
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₈N₂O₄S₂
Molecular Weight 332.35
Synonym(s) 4-(BENZOTHIAZOL-2-YLSULFANYL)-3-NITRO-BENZOIC ACID
SMILES O=C(O)C1=CC=C(SC2=NC3=CC=CC=C3S2)C([N+]([O-])=O)=C1

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 93.33
LogP 4.0539
H_Acceptors 6
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzoic acid

CAS No. 346597-52-2

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