CCOP(=O)(CC1=CC=C(C=C1)N=C=S)OCC
이름: 1-(diethoxyphosphorylmethyl)-4-isothiocyanatobenzene
SMILES: CCOP(=O)(CC1=CC=C(C=C1)N=C=S)OCC

Molecular Processing

Molecular formula
C12H16NO3PS
Molecular weight
285.31
Exact mass
285.0589
XLogP
4.19
TPSA
47.89
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
75.69

Supplementary Information

InChIKey: GVTJCMFKCNVYGW-UHFFFAOYSA-N
동의어
SCHEMBL6493188GVTJCMFKCNVYGW-UHFFFAOYSA-Ndiethyl 4-isothiocyanatobenzylphosphonate
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