(S)-(+)-4-(N，N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2，1，3-benzoxadiazole - ≥98.0%(HPLC), high purity , CAS No.163927-32-0

In stock

Item Number

S134314

Grouped product items
SKU	Size	Availability	Price	Qty
S134314-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$323.90
S134314-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,453.90

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Basic Description

Synonyms	(S)-(+)-DBD-PY-NCS [=(S)-(+)-4-(N,N-DIMETHYLAMINOSULFONYL)-7-(3-ISOTHIOCYANATOPYRROLIDIN-1-YL)-2,1,3-BENZOXADIAZOLE] [FOR HPLC LABELING] \| AKOS015910899 \| T70379 \| (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiaz
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at 2-8°C
Shipped In	Wet ice

Names and Identifiers

IUPAC Name	7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
INCHI	InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3/t9-/m0/s1
InChi Key	YMXYIIXTKUQWPC-VIFPVBQESA-N
Canonical SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S
Isomeric SMILES	CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CC[C@@H](C3)N=C=S
PubChem CID	16218753
Molecular Weight	353.42

Chemical and Physical Properties

Sensitivity	Air Sensitive,Heat Sensitive
Specific Rotation[α]	285° (C=0.4,CH3CN)
Molecular Weight	353.400 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	353.062 Da
Monoisotopic Mass	353.062 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	587.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Melting point

157-161（℃）

Purity(HPLC)

98-100（%）

Proton NMR spectrum

Conforms to Structure

Solution Calculators

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Basic Description