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Phenylmethylsulfonyl fluoride

CAT: 1106-ALX-270-184-G025Size: 25 gDry Ice: NoHazardous: No
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CAT#:1106-ALX-270-184-G025Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
329-98-6
Product Name Alternative
PMSF, Benzylsulfonyl fluoride
Certification
RUO
Target
FAAH, Serine protease
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥99% (HPLC)
Solubility
Soluble in 100% ethanol, methanol or isopropanol; insoluble in water.
Molecular Formula
C 7 H 7 FO 2 S
Molecular Weight
174.2
Shipping Conditions
Ambient Temperature
Storage Conditions
Ambient
Appearance
White to off-white needle crystals.
RTECS
XT8040000

Chemical Information

Phenylmethylsulfonyl Fluoride

Phenylmethanesulfonyl fluoride is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It is functionally related to a phenylmethanesulfonic acid.

CAS Number329-98-6
PubChem CID4784
IUPAC Namephenylmethanesulfonyl fluoride
Molecular FormulaC7H7FO2S
Molecular Weight174.19
XLogP1.3
Topological Polar Surface Area42.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity199
SMILES
C1=CC=C(C=C1)CS(=O)(=O)F
InChI
InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylmethylsulfonyl Fluoride
CAS: 329-98-6
CID: 4784
Formula: C7H7FO2S
MW: 174.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.19
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass174.01507880
Monoisotopic Mass174.01507880
Topological Polar Surface Area42.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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