CAS: 1455-18-1
名称: 3-methyl-1-benzothiophene
SMILES:
CC1=CSC2=CC=CC=C12Molecular 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: SEBRPHZZSLCDRQ-UHFFFAOYSA-N
同義語
3-Methylbenzo[b]thiophene3-Methylbenzothiophene3-Methylthianaphthene3-Methylbenzo(b)thiophene3-Methylbenzylthiophene7A0P7EI9XFEINECS 215-934-6UNII-7A0P7EI9XFNSC 267241NSC-267241DTXSID80745263-Methylbenzo[b)thiophene3Methylthioindene3Methyl1thiaindene3Methylthianaphthene3MethylbenzothiopheneBenzothiophene, 3methylRefChem:94834Benzo(b)thiophene, 3methylDTXCID4034732Benzo(b)thiophene, 3-methyl-(8CI)Benzo(b)thiophene, 3-methyl-(8CI)(9CI)SEBRPHZZSLCDRQ-UHFFFAOYSA-N1455-18-1Benzo[b]thiophene, 3-methyl-3-Methyl-1-benzothiophene3-Methyl-1-thiaindene3-MethylthioindeneBenzothiophene, 3-methyl-MFCD00040243
34 件の反応に参加→