4-(phenylsulfanyl)pyrazolidine-1,2-dicarbaldehyde

4-(phenylsulfanyl)pyrazolidine-1,2-dicarbaldehyde

CAS: 478248-74-7

Formula: C11H12N2O2S

SMILES: O=CN1CC(CN1C=O)SC1=CC=CC=C1

IUPAC: 4-(phenylsulfanyl)pyrazolidine-1,2-dicarbaldehyde

InChI: InChI=1S/C11H12N2O2S/c14-8-12-6-11(7-13(12)9-15)16-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2

Composition: C (55.92%), H (5.12%), N (11.86%), O (13.54%), S (13.57%)

Molar Mass: 236.29

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.061948808
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZWPWCTTZUNDAIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.92
Topological Polar Surface Area	40.62
Polarizability	24.28
Ring Count	2
Rotatable Bond Count	2

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