piperidine-4-carbothioamide

piperidine-4-carbothioamide

CAS: 112401-09-9

Formula: C6H12N2S

SMILES: NC(=S)C1CCNCC1

IUPAC: piperidine-4-carbothioamide

InChI: InChI=1S/C6H12N2S/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)

Composition: C (49.96%), H (8.39%), N (19.42%), S (22.23%)

Molar Mass: 144.24

Atom Count: 21

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	144.072119568
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	LXOBYAWHAIZPPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.89
Topological Polar Surface Area	38.05
Polarizability	17.16
Ring Count	1
Rotatable Bond Count	1

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