2-(tert-butylsulfanylmethyl)-4-chloropyridine

C10H14ClNS — CID 79244586

IUPAC2-(tert-butylsulfanylmethyl)-4-chloropyridine
SMILESCC(C)(C)SCc1cc(Cl)ccn1
InChIInChI=1S/C10H14ClNS/c1-10(2,3)13-7-9-6-8(11)4-5-12-9/h4-6H,7H2,1-3H3
InChIKeyIRHXDUDCOHWKSO-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.77
Rot. Bonds2

About 2-(tert-butylsulfanylmethyl)-4-chloropyridine

2-(tert-butylsulfanylmethyl)-4-chloropyridine (PubChem CID 79244586) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 2-(tert-butylsulfanylmethyl)-4-chloropyridine.

Molecular Properties

Compound Name2-(tert-butylsulfanylmethyl)-4-chloropyridine
PubChem CID79244586
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name2-(tert-butylsulfanylmethyl)-4-chloropyridine
SMILESCC(C)(C)SCc1cc(Cl)ccn1
InChIInChI=1S/C10H14ClNS/c1-10(2,3)13-7-9-6-8(11)4-5-12-9/h4-6H,7H2,1-3H3
InChIKeyIRHXDUDCOHWKSO-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfanylmethyl)-4-chloropyridine?
The IUPAC name of 2-(tert-butylsulfanylmethyl)-4-chloropyridine (CID 79244586) is 2-(tert-butylsulfanylmethyl)-4-chloropyridine.
What is the SMILES notation for 2-(tert-butylsulfanylmethyl)-4-chloropyridine?
The canonical SMILES for 2-(tert-butylsulfanylmethyl)-4-chloropyridine is CC(C)(C)SCc1cc(Cl)ccn1.
What is the InChIKey of 2-(tert-butylsulfanylmethyl)-4-chloropyridine?
The InChIKey is IRHXDUDCOHWKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-10(2,3)13-7-9-6-8(11)4-5-12-9/h4-6H,7H2,1-3H3.
What are the key properties of 2-(tert-butylsulfanylmethyl)-4-chloropyridine?
2-(tert-butylsulfanylmethyl)-4-chloropyridine has a molecular weight of 215.75 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfanylmethyl)-4-chloropyridine is sourced from PubChem (CID 79244586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).