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Aramite

CAT: 0013-GTR19202757-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202757-01Size:25 mg
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Description
Aramite
CAS Number
140-57-8
Field of Research
Infectious Disease & Virology
Smiles
O=S (OCCCl) OC (C) COC1=CC=C (C=C1) C (C) (C) C
Molecular Formula
C15H23ClO4S
Molecular Weight
334.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aramite

Aramite can cause cancer according to an independent committee of scientific and health experts.

CAS Number140-57-8
PubChem CID8809
IUPAC Name1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite
Molecular FormulaC15H23ClO4S
Molecular Weight334.9
XLogP4.6
Topological Polar Surface Area64
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity311
SMILES
CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
InChI
InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3
InChIKey
YKFRAOGHWKADFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aramite
CAS: 140-57-8
CID: 8809
Formula: C15H23ClO4S
MW: 334.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.9
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass334.1005581
Monoisotopic Mass334.1005581
Topological Polar Surface Area64 Ų
Heavy Atom Count21
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5756239Aramite
S-305-MECLAramite - EACH
CS-T-103292Aramite-d6
HY-119766RAramite (Standard)
CS-T-103831Aramite-d4 (Phenyl-d4)
TRC-A765154-250MGAramite-d4 (2-chloroethyl-d4)

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