CC1=NC2=C(S1)C=CC(=C2)Br
CAS: 63837-11-6
Name: 5-bromo-2-methyl-1,3-benzothiazole
SMILES: CC1=NC2=C(S1)C=CC(=C2)Br

Molecular Processing

Molecular formula
C8H6BrNS
Molecular weight
228.11
Exact mass
226.9404
XLogP
3.37
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
52.06

Supplementary Information

InChIKey: OLQKNZNXLBILDD-UHFFFAOYSA-N
Synonyme
5-Bromo-2-methylbenzothiazole63837-11-6EINECS 264-510-7RefChem:102144264-510-75-bromo-2-methyl-1,3-benzothiazole2-Methyl-5-bromobenzothiazoleBenzothiazole, 5-bromo-2-methyl-5-bromo-2-methyl-benzothiazole5-BROMO-2-METHYBENZOTHIAZOLEMFCD006030965-bromo-2-methylbenzo[d]thiazole5-Bromo-2-methyl benzothiazoleSCHEMBL202298SCHEMBL30181739DTXSID70980481GEO-00493SBB0545725-Bromo-2-methylbenzothiazole, 95%AKOS005254385CS-W005065FS-2391SB38075BP-10746SY030916DB-021354B1798NS00052970ST50949822EN300-6495455
Quelle anzeigen →
An 30 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→