CAS
98326-29-5 Purity
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98326-29-5 Purity
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Pyridine,2-chloro-6-(4-piperidinylthio)-
CAS
98330-05-3
Catalog Number
ACM98330053
Category
Other Products
Molecular Weight
228.7416
Molecular Formula
C10H13ClN2S
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Specification
Synonyms
Anpirtoline, Anpirtolinum [Latin], Anpirtolina [Spanish], NCGC00024740-02, 4-((6-Chloro-2-pyridyl)thio)piperidine, DSSTox_CID_25659, DSSTox_RID_81036, DSSTox_GSID_45659, D 16949, D-16949, 98330-05-3, CAS-98330-05-3, 2-chloro-6-piperidin-4-ylsulfanylpyridine, Anpirtolina, Anpirtolinum, Anpirtoline [INN], 6-chlor-2-(piperidyl-4-thio)pyridine, 6-chloro-2-(piperidyl-4-thiol)pyridine, Tocris-0703, Biomol-NT_000088
IUPAC Name
2-chloro-6-piperidin-4-ylsulfanylpyridine
InChI Key
GGALEXMXDMUMDM-UHFFFAOYSA-N
Boiling Point
364.1ºC at 760 mmHg
Flash Point
174ºC
Density
1.27 g/cm³
Exact Mass
228.04900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C10H13ClN2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 228.74 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-chloro-6-piperidin-4-ylsulfanylpyridine.
How is the compound represented by the Canonical SMILES?
The compound is represented by the Canonical SMILES: C1CNCCC1SC2=NC(=CC=C2)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 98330-05-3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 50.2 ?^2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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