CC1=CC2=CC=CC=C2S1
CAS: 1195-14-8
Nom: 2-methyl-1-benzothiophene
SMILES: CC1=CC2=CC=CC=C2S1

Molecular Processing

Molecular formula
C9H8S
Molecular weight
148.23
Exact mass
148.0347
XLogP
3.21
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.56

Supplementary Information

InChIKey: BLZKSRBAQDZAIX-UHFFFAOYSA-N
Synonymes
2-Methylbenzo[b]thiophene1195-14-82-Methylthianaphthene2-Methyl-1-benzothiophene2-Methylbenzothiophene2-Methylbenzo(b)thiopheneBenzothiophene, 2-methylEINECS 214-792-2NSC 18869DTXSID80152470RefChem:88260DTXCID1074961Benzo(b)thiophene, 2-methyl-(8CI)Benzo(b)thiophene, 2-methyl-(8CI)(9CI)214-792-2BLZKSRBAQDZAIX-UHFFFAOYSA-NInChI=1/C9H8S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1HBenzo[b]thiophene, 2-methyl-2-Methyl-1-thiaindene2-MethylthioindeneMFCD00216250Benzo(b)thiophene, 2-methyl-6MH2BG9KVQNSC-18869F9995-0018Benzo[b]thiophene,2-methyl-NSC18869UNII-6MH2BG9KVQ2-methyl-benzo[b]thiopheneSCHEMBL12417
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→