Pifithrin-µ

CAT: 0127-BUP14339-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14339-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

64984-31-2

Synonyms

PFTµ, NSC 303580, 2-Phenylethynesulfonamide

Purity

=98%

Smiles

NS(=O)(=O)C#Cc1ccccc1

Chemical Information

2-Phenylethynesulfonamide

2-phenylethynesulfonamide is a member of benzenes.

CAS Number	64984-31-2
PubChem CID	327653
IUPAC Name	2-phenylethynesulfonamide
Molecular Formula	C8H7NO2S
Molecular Weight	181.21
XLogP	1.1
Topological Polar Surface Area	68.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	295

SMILES

C1=CC=C(C=C1)C#CS(=O)(=O)N

InChI

InChI=1S/C8H7NO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,(H2,9,10,11)

InChIKey

ZZUZYEMRHCMVTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64984-31-2

CID: 327653

Formula: C8H7NO2S

MW: 181.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.21
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	181.01974964
Monoisotopic Mass	181.01974964
Topological Polar Surface Area	68.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	295
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