C1=C(SC2=C1N=CNC2=O)Cl
CAS: 120670-16-8
名称: 6-chloro-3H-thieno[3,2-d]pyrimidin-4-one
SMILES: C1=C(SC2=C1N=CNC2=O)Cl

Molecular Processing

Molecular formula
C6H3ClN2OS
Molecular weight
186.62
Exact mass
185.9655
XLogP
1.64
TPSA
45.75
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.25

Supplementary Information

InChIKey: FMGVWCKCCAJCJA-UHFFFAOYSA-N
同義語
6-chlorothieno[3,2-d]pyrimidin-4(3H)-one120670-16-86-chloro-3H-thieno[3,2-d]pyrimidin-4-oneSCHEMBL10565996FMGVWCKCCAJCJA-UHFFFAOYSA-NMFCD24606985SY3007936-chloro-1H-thieno[3,2-d]pyrimidin-4-oneCS-0085553
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