CAS: 628-30-8
الاسم: 1-isothiocyanatopropane
SMILES:
CCCN=C=SMolecular Processing
Molecular formula
C4H7NS
Molecular weight
101.17
Exact mass
101.0299
XLogP
1.5
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
6
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
0.75
Molar refractivity
30.18
Supplementary Information
InChIKey: KKASGUHLXWAKEZ-UHFFFAOYSA-N
مرادفات
Propyl isothiocyanate628-30-81-IsothiocyanatopropanePropane, 1-isothiocyanato-n-Propyl isothiocyanateIsothiocyanic acid, propyl esterIsothiocyanic acid n-propyl esterEINECS 211-035-8AI3-37783DTXSID50211881RefChem:176500DTXCID80134372211-035-8InChI=1/C4H7NS/c1-2-3-5-4-6/h2-3H2,1HKKASGUHLXWAKEZ-UHFFFAOYSA-NpropylisothiocyanateIsothiocyanic Acid Propyl EsterMFCD00004823propanisothiocyanaten-propylisothiocyanate1-isothiocynatopropanen-propyl-isothiocyanate1-propyl isothiocyanate1-isothiocyanato-propane1-Isothiocyanatopropane #Propyl isothiocyanate, 98%SCHEMBL330716SCHEMBL2228506SCHEMBL6862896CHEMBL2251726
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