Name: 3-cyanopropanethioyl chloride
SMILES:
C(CC(=S)Cl)C#NMolecular Processing
Molecular formula
C4H4ClNS
Molecular weight
133.6
Exact mass
132.9753
XLogP
1.86
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
33.3
Supplementary Information
InChIKey: ALCKLBOCZKLPJN-UHFFFAOYSA-N
Synonyme
cyanomethylthioacetyl chlorideSCHEMBL9680270ALCKLBOCZKLPJN-UHFFFAOYSA-NAKOS015897522
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