{[4-(6-chloropyridin-2-yl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine

{[4-(6-chloropyridin-2-yl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine

CAS: 339107-30-1

Formula: C12H14ClN5S

SMILES: CSC(=NC#N)N1CCN(CC1)C1=CC=CC(Cl)=N1

IUPAC: {[4-(6-chloropyridin-2-yl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine

InChI: InChI=1S/C12H14ClN5S/c1-19-12(15-9-14)18-7-5-17(6-8-18)11-4-2-3-10(13)16-11/h2-4H,5-8H2,1H3

Composition: C (48.73%), H (4.77%), Cl (11.98%), N (23.68%), S (10.84%)

Molar Mass: 295.79

Atom Count: 33

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	295.0658443
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	ZTOOAWWMNHODDD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.06
Topological Polar Surface Area	55.52
Polarizability	29.5
Ring Count	2
Rotatable Bond Count	2

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