C1=CC(=CC=C1N2C=NN=N2)SC3=NC(=NC=C3)Cl
名称: 2-chloro-4-[4-(tetrazol-1-yl)phenyl]sulfanylpyrimidine
SMILES: C1=CC(=CC=C1N2C=NN=N2)SC3=NC(=NC=C3)Cl

Molecular Processing

Molecular formula
C11H7ClN6S
Molecular weight
290.74
Exact mass
290.0141
XLogP
2.26
TPSA
69.38
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
70.32

Supplementary Information

InChIKey: CUQBBZBPQWGYBE-UHFFFAOYSA-N
同義語
SCHEMBL3692765CUQBBZBPQWGYBE-UHFFFAOYSA-N4-(4-(1H-tetrazol-1-yl)phenylthio)-2-chloropyrimidine
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