CSC1=NC=C(C(=O)N1)C#N
CAS: 89487-99-0
Name: 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILES: CSC1=NC=C(C(=O)N1)C#N

Molecular Processing

Molecular formula
C6H5N3OS
Molecular weight
167.19
Exact mass
167.0153
XLogP
0.36
TPSA
69.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
41.35

Supplementary Information

InChIKey: XTLKENCFQIAAJK-UHFFFAOYSA-N
Synonyme
89487-99-04-hydroxy-2-(methylthio)pyrimidine-5-carbonitrileDTXSID30369475RefChem:293154DTXCID803205115-Cyano-4-hydroxy-2-(methylthio)pyrimidine5-cyano-2-(methylthio)pyrimidine-4-oneMFCD008317202-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile4-hydroxy-2-methylsulfanyl-pyrimidine-5-carbonitrile2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile5-cyano-3,4-dihydro-2-methylthiopyrimidin-4-one4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile ,97%5-Pyrimidinecarbonitrile, 1,4-dihydro-2-(methylthio)-4-oxo-SCHEMBL1227312SCHEMBL2027355XTLKENCFQIAAJK-UHFFFAOYSA-NAKOS006272289AKOS022637403AKOS028109162SB57409s10786DS-15255FH155456SY005831DB-014383CS-0045856?5-Cyano-4-hydroxy-2-(methylthio)pyrimidine5-cyano-2-methylsulfanyl-4(3h)-pyrimidinone
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