4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile

4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile

CAS: 33089-15-5

Formula: C6H4ClN3S

SMILES: CSC1=NC=C(C#N)C(Cl)=N1

IUPAC: 4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile

InChI: InChI=1S/C6H4ClN3S/c1-11-6-9-3-4(2-8)5(7)10-6/h3H,1H3

Composition: C (38.82%), H (2.17%), Cl (19.10%), N (22.64%), S (17.27%)

Molar Mass: 185.63

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.981446
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IGIRTCCCRNZFSQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.01
Topological Polar Surface Area	49.57
Polarizability	17.3
Ring Count	1
Rotatable Bond Count	1

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