C1=CN=CC=C1CCSCCO
CAS: 78092-91-8
Name: 2-(2-pyridin-4-ylethylsulfanyl)ethanol
SMILES: C1=CN=CC=C1CCSCCO

Molecular Processing

Molecular formula
C9H13NOS
Molecular weight
183.28
Exact mass
183.0718
XLogP
1.35
TPSA
33.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
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
0.444
Molar refractivity
52.35

Supplementary Information

InChIKey: RVSLGHONXIRODY-UHFFFAOYSA-N
Synonyme
78092-91-82-[(2-pyridin-4-ylethyl)thio]ethanol2-(2-pyridin-4-ylethylsulfanyl)ethanol2-((2-(Pyridin-4-yl)ethyl)thio)ethanolMFCD004564252-{[2-(Pyridin-4-yl)ethyl]sulfanyl}ethan-1-olCambridge id 5104065CBDivE_000489SCHEMBL10996347DTXSID40366112RVSLGHONXIRODY-UHFFFAOYSA-NHMS1577G19ALBB-007851AKOS001600615CCG-104671SB539902-[2-(4-pyridyl)ethylsulfanyl]ethanol2-(2-(4-pyridyl)ethylthio)ethan-1-ol2-{[2-(4-Pyridinyl)ethyl]thio}ethanol4-[2-(2-hydroxyethylthio)ethyl]pyridineLS-02892ST509474772-((2-(Pyridin-4-yl);ethyl);thio);ethanolH24717F313829
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