C1=CSN=C1CBr
CAS: 4576-91-4
Nom: 3-(bromomethyl)-1,2-thiazole
SMILES: C1=CSN=C1CBr

Molecular Processing

Molecular formula
C4H4BrNS
Molecular weight
178.05
Exact mass
176.9248
XLogP
2.04
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
34.75

Supplementary Information

InChIKey: FVJGRFFQOBEQSX-UHFFFAOYSA-N
Synonymes
3-(bromomethyl)Isothiazole4576-91-43-(bromomethyl)-1,2-thiazole3-bromomethylisothiazole3-bromomethyl-isothiazoleSCHEMBL2024929FVJGRFFQOBEQSX-UHFFFAOYSA-NDB-070681CS-05301723-(BROMOMETHYL)ISOTHIAZOLE(WXC08610)
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→