2-chloro-5-(methylsulfanyl)pyrimidine

2-chloro-5-(methylsulfanyl)pyrimidine

CAS: 115581-36-7

Formula: C5H5ClN2S

SMILES: CSC1=CN=C(Cl)N=C1

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

InChI: InChI=1S/C5H5ClN2S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3

Composition: C (37.39%), H (3.14%), Cl (22.07%), N (17.44%), S (19.96%)

Molar Mass: 160.62

Atom Count: 14

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	159.986197
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	UGWJTFHCCZHCDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.98
Topological Polar Surface Area	25.78
Polarizability	15.46
Ring Count	1
Rotatable Bond Count	1

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