4-chloro-5-ethyl-6-(methylsulfanyl)pyrimidine

4-chloro-5-ethyl-6-(methylsulfanyl)pyrimidine

CAS: 1340052-38-1

Formula: C7H9ClN2S

SMILES: CCC1=C(Cl)N=CN=C1SC

IUPAC: 4-chloro-5-ethyl-6-(methylsulfanyl)pyrimidine

InChI: InChI=1S/C7H9ClN2S/c1-3-5-6(8)9-4-10-7(5)11-2/h4H,3H2,1-2H3

Composition: C (44.56%), H (4.81%), Cl (18.79%), N (14.85%), S (16.99%)

Molar Mass: 188.67

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.0174972
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TWNSRLUPJHPCBH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.3
Topological Polar Surface Area	25.78
Polarizability	19
Ring Count	1
Rotatable Bond Count	2

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