CC1=NSC(=C1)Br
CAS: 20493-60-1
Name: 5-bromo-3-methyl-1,2-thiazole
SMILES: CC1=NSC(=C1)Br

Molecular Processing

Molecular formula
C4H4BrNS
Molecular weight
178.05
Exact mass
176.9248
XLogP
2.21
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
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
34.55

Supplementary Information

InChIKey: XSVSPKKXQGNHMD-UHFFFAOYSA-N
Synonyme
5-Bromo-3-methylisothiazole20493-60-1Isothiazole, 5-bromo-3-methyl-DTXSID70344988RefChem:102162DTXCID00296062XSVSPKKXQGNHMD-UHFFFAOYSA-N5-Bromo-3-methyl-isothiazole5-bromo-3-methyl-1,2-thiazoleMFCD01318949SCHEMBL2028343SBB089357AKOS006282032AS-5512SB35198SY022791DB-006982CS-0136608EN300-67299F075575
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