CC1=C(C=CC(=C1)SC#N)O
CAS: 3774-53-6
Name: (4-hydroxy-3-methylphenyl) thiocyanate
SMILES: CC1=C(C=CC(=C1)SC#N)O

Molecular Processing

Molecular formula
C8H7NOS
Molecular weight
165.22
Exact mass
165.0248
XLogP
2.27
TPSA
44.02
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
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
44.31

Supplementary Information

InChIKey: WEAMLHXSIBDPGN-UHFFFAOYSA-N
Synonyme
[(4-hydroxy-3-methylphenyl)sulfanyl]formonitrile((4-Hydroxy-3-methylphenyl)sulfanyl)formonitrileRefChem:390197109-014-23774-53-64-hydroxy-3-methylphenyl thiocyanate2-methyl-4-thiocyanatophenol4-Thiocyanato-O-cresol(4-hydroxy-3-methylphenyl) thiocyanateMFCD00086627NSC44702-Methyl-4-thiocyano-phenolSCHEMBL9441632-methyl-4-thiocyanato-phenolDTXSID90277845NSC7392WEAMLHXSIBDPGN-UHFFFAOYSA-NNSC 4470NSC 7392NSC-4470NSC-7392NSC31040NSC 31040NSC-31040SBB087928AKOS005069652(4-hydroxy-3-methyl-phenyl) thiocyanateSY037959(4-hydroxy-3-methylphenyl)thiocarbonitrile3-methyl-4-hydroxy-phenyl thiocyanic acid
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