(4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

(4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

CAS: 96034-64-9

Formula: C15H19N3O5S

SMILES: CN(C)C(=O)C1CC(S)CN1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate

InChI: InChI=1/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3

Composition: C (50.98%), H (5.42%), N (11.89%), O (22.64%), S (9.07%)

Molar Mass: 353.39

Atom Count: 43

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	353.104541898
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VGLBNJWGUYQZHD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.28
Topological Polar Surface Area	92.99
Polarizability	34.31
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	96034-64-9		Quote Only