CAS: 103-72-0
名称: isothiocyanatobenzene
SMILES:
C1=CC=C(C=C1)N=C=SMolecular Processing
Molecular formula
C7H5NS
Molecular weight
135.19
Exact mass
135.0143
XLogP
2.42
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.13
Supplementary Information
InChIKey: QKFJKGMPGYROCL-UHFFFAOYSA-N
同義語
IsothiocyanatobenzenePHENYL ISOTHIOCYANATE103-72-0PhenylisothiocyanatePITCThiocarbanilBenzene, isothiocyanato-PhenylsenfoelIsothiocyanic acid phenyl esterBenzene-1-isothiocyanatePhenyl thioisocyanateIsothiocyanic acid, phenyl esterFenylisothiokyanatDTXSID0021129CHEBI:851030D58F84LSUNSC-5583DTXCID501129RefChem:57537Phenylisothiocyanate 1533Phenylisothiocyanate Phenolic203-138-1Phenyl thiocyanateIsothiocyanato-benzeneUSAF M-4NSC 5583MFCD00004798Phenylsenfoel [German]Fenylisothiokyanat [Czech]CCRIS 3144
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