CSC1=NC=CC(=N1)F
CAS: 161124-03-4
Name: 4-fluoro-2-methylsulfanylpyrimidine
SMILES: CSC1=NC=CC(=N1)F

Molecular Processing

Molecular formula
C5H5FN2S
Molecular weight
144.17
Exact mass
144.0157
XLogP
1.34
TPSA
25.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
33.77

Supplementary Information

InChIKey: PTOVZQHGXMAESP-UHFFFAOYSA-N
Synonyme
161124-03-44-Fluoro-2-(methylsulfanyl)pyrimidineRefChem:523070967-234-14-fluoro-2-methylsulfanyl-pyrimidine4-Fluoro-2-(methylthio)pyrimidinePyrimidine, 4-fluoro-2-(methylthio)- (9CI)MFCD279456324-fluoro-2-methylsulfanylpyrimidine4-fluoro-2-methylthiopyrimidineSCHEMBL4771461PTOVZQHGXMAESP-UHFFFAOYSA-NSB34031DB-412707CS-0341844EN300-299027H59958Z1862020309
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