2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile

2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile

CAS: 1187595-85-2

Formula: C7H10N2O2S

SMILES: CCS(=O)(=O)N1CC(C1)=CC#N

IUPAC: 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile

InChI: InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3

Composition: C (45.15%), H (5.41%), N (15.04%), O (17.18%), S (17.22%)

Molar Mass: 186.23

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	186.046298744
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HQUIOHSYUKWGOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.99
Topological Polar Surface Area	61.17
Polarizability	17.88
Ring Count	1
Rotatable Bond Count	1

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