3-(acetylsulfanyl)propanenitrile

3-(acetylsulfanyl)propanenitrile

CAS: 119174-33-3

Formula: C5H7NOS

SMILES: CC(=O)SCCC#N

IUPAC: 3-(acetylsulfanyl)propanenitrile

InChI: InChI=1S/C5H7NOS/c1-5(7)8-4-2-3-6/h2,4H2,1H3

Composition: C (46.49%), H (5.46%), N (10.84%), O (12.39%), S (24.82%)

Molar Mass: 129.18

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	129.024835023
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BMBATCYWJILFCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.52
Topological Polar Surface Area	40.86
Polarizability	12.98
Ring Count	0
Rotatable Bond Count	3

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