CC1=CC(=CC(=C1Br)C)OC2CCSCC2
CAS: 922151-74-4
Name: 4-(4-bromo-3,5-dimethylphenoxy)thiane
SMILES: CC1=CC(=CC(=C1Br)C)OC2CCSCC2

Molecular Processing

Molecular formula
C13H17BrOS
Molecular weight
301.25
Exact mass
300.0183
XLogP
4.34
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
74.59

Supplementary Information

InChIKey: GIPNZBATXCUTDZ-UHFFFAOYSA-N
Synonyme
4-(4-Bromo-3,5-dimethylphenoxy)thiane922151-74-4SCHEMBL205672DTXSID80731587GIPNZBATXCUTDZ-UHFFFAOYSA-N4-(4-bromo-3,5-dimethylphenoxy)tetrahydro-2H-thiopyran
Quelle anzeigen →
An 11 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→