CC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)Br)(C)C
이름: 6-bromo-2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromene
SMILES: CC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)Br)(C)C

Molecular Processing

Molecular formula
C16H15BrS2
Molecular weight
351.33
Exact mass
349.9799
XLogP
6.14
TPSA
0
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.21

Supplementary Information

InChIKey: BFCKEEQHKUMOPH-UHFFFAOYSA-N
동의어
BFCKEEQHKUMOPH-UHFFFAOYSA-N2,2-Dimethyl-4(2-methyl-thien-5-yl)-6-bromo-thiochrom-3-ene
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