BNTA Impurity 1

CAT: 1596-AR-B07480-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B07480-02Size:25 Units

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CAS Number

175201-60-2

Molecular Formula

C10H9NO2S2

Molecular Weight

239.31

API Name

Bnta

Chemical Information

4-(Phenylsulfonyl)thiophen-3-amine

CAS Number	175201-60-2
PubChem CID	2778524
IUPAC Name	4-(benzenesulfonyl)thiophen-3-amine
Molecular Formula	C10H9NO2S2
Molecular Weight	239.3
XLogP	2.3
Topological Polar Surface Area	96.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	304

SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CSC=C2N

InChI

InChI=1S/C10H9NO2S2/c11-9-6-14-7-10(9)15(12,13)8-4-2-1-3-5-8/h1-7H,11H2

InChIKey

HYLCXPMYGZOANR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175201-60-2

CID: 2778524

Formula: C10H9NO2S2

MW: 239.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	239.3
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.00747088
Monoisotopic Mass	239.00747088
Topological Polar Surface Area	96.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	304
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-B07484-01	BNTA Impurity 5
AR-B07485-01	BNTA Impurity 6
AR-B07482-01	BNTA Impurity 3
AR-B07486-01	BNTA Impurity 7
AR-B07483-01	BNTA Impurity 4
AR-B07481-01	BNTA Impurity 2
AR-B07479-01	BNTA-d4
AR-B07478-01	BNTA
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)

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