C1=CC=C(C=C1)CSC2=CC=NC=C2
CAS: 51290-78-9
Name: 4-benzylsulfanylpyridine
SMILES: C1=CC=C(C=C1)CSC2=CC=NC=C2

Molecular Processing

Molecular formula
C12H11NS
Molecular weight
201.29
Exact mass
201.0612
XLogP
3.37
TPSA
12.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
60.24

Supplementary Information

InChIKey: WHHDQCXCEKZXHK-UHFFFAOYSA-N
Synonyme
51290-78-94-benzylsulfanylpyridineDTXSID60312398RefChem:290365DTXCID502635224-(Benzylthio)pyridineMFCD00957472NSC2541274-Benzylmercaptopyridinepyridine, 4-benzylthio-4-(Benzylthio)-pyridine4-(benzylsulfanyl)pyridineCHEMBL227022SCHEMBL9480291SCHEMBL11159851WHHDQCXCEKZXHK-UHFFFAOYSA-NAC6272NSC-254127SY249389DS-014897F831938
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