CAS: 49844-90-8
名称: 4-chloro-2-methylsulfanylpyrimidine
SMILES:
CSC1=NC=CC(=N1)ClMolecular Processing
Molecular formula
C5H5ClN2S
Molecular weight
160.63
Exact mass
159.9862
XLogP
1.85
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
38.82
Supplementary Information
InChIKey: DFOHHQRGDOQMKG-UHFFFAOYSA-N
同義語
49844-90-84-Chloro-2-methylthiopyrimidine4-Chloro-2-(methylthio)pyrimidinepyrimidine, 4-chloro-2-(methylthio)-EINECS 256-500-6DTXSID60198114NSC 100866RefChem:98390DTXCID90120605256-500-6DFOHHQRGDOQMKG-UHFFFAOYSA-N4-chloro-2-(methylsulfanyl)pyrimidine4-chloro-2-methylsulfanylpyrimidine4-Chloro-2-methylsulfanyl-pyrimidineMFCD000060834-chloro-2-(methylthio) pyrimidineNSC100866NCIOpen2_001949SCHEMBL18947SCHEMBL27488942-methylthio-4-chloropyrimidine6-Chloro-2-methylthiopyrimidineSCHEMBL296936102-methylthio-4-chloro pyrimidine2-methylthio-4-chloro-pyrimidine4-chloro -2-methylthiopyrimidine4-chloro-2-methylthio-pyrimidine2-Methylmercapto-6-chlorpyrimidin2-methylmercapto-4-chloropyrimidineALBB-031863
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