COC1=CC=C(C=C1)N=C=S
CAS: 2284-20-0
Name: 1-isothiocyanato-4-methoxybenzene
SMILES: COC1=CC=C(C=C1)N=C=S

Molecular Processing

Molecular formula
C8H7NOS
Molecular weight
165.22
Exact mass
165.0248
XLogP
2.43
TPSA
21.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
47.68

Supplementary Information

InChIKey: VRPQCVLBOZOYCG-UHFFFAOYSA-N
Synonyms
4-Methoxyphenyl isothiocyanate2284-20-04-MethoxyphenylisothiocyanateBenzene, 1-isothiocyanato-4-methoxy-NSC-77713HJ7V98MU87DTXSID001773874-PMPITCRefChem:524817DTXCID9099878218-921-31-Isothiocyanato-4-methoxybenzene1-isothiocyanato-4-methoxy-benzenep-Methoxyphenyl isothiocyanateMFCD000116764-methoxybenzenisothiocyanateEINECS 218-921-3NSC 77713p-methoxyphenylisothiocyanateNCIOpen2_000741SCHEMBL406814-methoxylphenyl isothiocyanate4-methoxy phenyl isothiocyanateorb2814466Phenylisothiocyanate, 4-methoxyCHEMBL47552991-isothiocyanato-4-methoxy benzeneNSC777131-Isothiocyanato-4-methoxybenzene #4-Methoxyphenyl isothiocyanate, 98%
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Involved in 47 reactions→

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