3-chloro-4-(methylsulfanylmethyl)pyridine

C7H8ClNS — CID 126992001

IUPAC3-chloro-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1ccncc1Cl
InChIInChI=1S/C7H8ClNS/c1-10-5-6-2-3-9-4-7(6)8/h2-4H,5H2,1H3
InChIKeyVYFFDWLRZBVDCS-UHFFFAOYSA-N
MW173.67 g/mol
LogP2.60
Rot. Bonds2

About 3-chloro-4-(methylsulfanylmethyl)pyridine

3-chloro-4-(methylsulfanylmethyl)pyridine (PubChem CID 126992001) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is 3-chloro-4-(methylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(methylsulfanylmethyl)pyridine
PubChem CID126992001
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name3-chloro-4-(methylsulfanylmethyl)pyridine
SMILESCSCc1ccncc1Cl
InChIInChI=1S/C7H8ClNS/c1-10-5-6-2-3-9-4-7(6)8/h2-4H,5H2,1H3
InChIKeyVYFFDWLRZBVDCS-UHFFFAOYSA-N
XLogP2.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylsulfanylmethyl)pyridine?
The IUPAC name of 3-chloro-4-(methylsulfanylmethyl)pyridine (CID 126992001) is 3-chloro-4-(methylsulfanylmethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(methylsulfanylmethyl)pyridine?
The canonical SMILES for 3-chloro-4-(methylsulfanylmethyl)pyridine is CSCc1ccncc1Cl.
What is the InChIKey of 3-chloro-4-(methylsulfanylmethyl)pyridine?
The InChIKey is VYFFDWLRZBVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-10-5-6-2-3-9-4-7(6)8/h2-4H,5H2,1H3.
What are the key properties of 3-chloro-4-(methylsulfanylmethyl)pyridine?
3-chloro-4-(methylsulfanylmethyl)pyridine has a molecular weight of 173.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylsulfanylmethyl)pyridine is sourced from PubChem (CID 126992001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).