CC1=CC2=C(C=C1)N=C(O2)S(=O)(=O)C
CAS: 791594-35-9
Name: 6-methyl-2-methylsulfonyl-1,3-benzoxazole
SMILES: CC1=CC2=C(C=C1)N=C(O2)S(=O)(=O)C

Molecular Processing

Molecular formula
C9H9NO3S
Molecular weight
211.24
Exact mass
211.0303
XLogP
1.54
TPSA
60.17
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
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
0.222
Molar refractivity
51.86

Supplementary Information

InChIKey: VDBCLRHHWCDXKG-UHFFFAOYSA-N
Synonyms
791594-35-96-Methyl-2-(methylsulfonyl)benzo[d]oxazole6-Methyl-2-(methylsulfonyl)-1,3-benzoxazoleSCHEMBL1748081DTXSID80621196VDBCLRHHWCDXKG-UHFFFAOYSA-NDB-2859682-(Methanesulfonyl)-6-methyl-1,3-benzoxazoleBENZOXAZOLE, 6-METHYL-2-(METHYLSULFONYL)-
View source →
Involved in 9 reactions→

Extended Search

Substructure Search→Similarity Search→