CAS: 1122-82-3
الاسم: isothiocyanatocyclohexane
SMILES:
C1CCC(CC1)N=C=SMolecular Processing
Molecular formula
C7H11NS
Molecular weight
141.24
Exact mass
141.0612
XLogP
2.42
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
41.9
Supplementary Information
InChIKey: MZSJGCPBOVTKHR-UHFFFAOYSA-N
مرادفات
Cyclohexyl isothiocyanateCyclohexane, isothiocyanato-EINECS 214-361-9NSC 60129cyclohexane isothiocyanateDTXSID5061532RefChem:129683DTXCID7033288214-361-9InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5HMZSJGCPBOVTKHR-UHFFFAOYSA-N1122-82-3ISOTHIOCYANATOCYCLOHEXANEIsothiocyanocyclohexaneCyclohexyl-isothiocyanatIsothiocyanic acid, cyclohexyl esterCyclohexyl isothiocyanate, isothiocyanato-isothiocyanato-cyclohexaneMFCD00003841NSC-60129cyclohexanisothiocyanateCyclohexylisothiocyanateCyclohexyl-isothiocyanat [German]Cyclohexyl-isothiocyanat [German]Isothiocyanic Acid Cyclohexyl Estercylcohexyl isothiocyanateWLN: L6TJ ANCS2UF76U4DEDSCHEMBL330620SCHEMBL9839353
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