CC(CSC(=O)C)C(=O)Cl
CAS: 64805-64-7
Nombre: S-(3-chloro-2-methyl-3-oxopropyl) ethanethioate
SMILES: CC(CSC(=O)C)C(=O)Cl

Molecular Processing

Molecular formula
C6H9ClO2S
Molecular weight
180.66
Exact mass
180.0012
XLogP
1.67
TPSA
34.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
43.16

Supplementary Information

InChIKey: LUDPWTHDXSOXDX-UHFFFAOYSA-N
Sinónimos
S-(3-Chloro-2-methyl-3-oxopropyl) ethanethioate2-Methyl-3-(acetylthio)propionyl chlorideEINECS 265-242-3EINECS 274-580-0Ethanethioic acid, S-(3-chloro-2-methyl-3-oxopropyl) esterDTXSID50886699S-(3-Chloro-2-methyl-3-oxopropyl) (1)ethanethioateRefChem:138187DTXCID201007928265-242-364805-64-7ethanethioic acid S-(3-chloro-2-methyl-3-oxopropyl) ester3-Acetylthio-2-methylpropanoic acid chlorideSCHEMBL5295104b-(acetylthio)isobutyryl chlorideAKOS0062910693-acetylthio-2-methylpropanoyl chloride3-acetylthio-2-methylpropionyl chloride3-acetylthio -2-methylpropanoyl chloride3-acetylthio-2-methyl propanoyl chloride3-acetylthio-2-methyl propionic chloride3-acetylthio-2-methyl-propanoyl chlorideNS00056681ACETYLTHIO-2-METHYLPRO-PANOYL CHLORIDEG15723
Ver fuente →
Participa en 68 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→