CAS: 542-85-8
이름: isothiocyanatoethane
SMILES:
CCN=C=SMolecular Processing
Molecular formula
C3H5NS
Molecular weight
87.15
Exact mass
87.0143
XLogP
1.11
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
25.57
Supplementary Information
InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-N
동의어
Ethyl isothiocyanate542-85-8IsothiocyanatoethaneEthane, isothiocyanato-ETHYLISOTHIOCYANATEIsothiocyanic acid, ethyl esterNSC-84212FEMA NO. 4420CHEBI:850983284MJ2T8PDTXSID2060258RefChem:138969DTXCID6041632208-831-2MFCD00004820isothiocyanato-ethaneEthyl isothiocyanate, 97%CCRIS 7323EINECS 208-831-2NSC 84212UNII-3284MJ2T8PIsothiocyanic Acid Ethyl EsterAI3-18428Isothiocyanic Acid, Ethyl Ester; Isothiocyanatoethane; 1-Isothiocyanatoethane;ethylisothio-cyanate1-Isothiocyanatoethane #Epitope ID:243753SCHEMBL287524SCHEMBL1293114CHEMBL2251727
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