4-(2-methylpropylsulfanyl)pyridine

C9H13NS — CID 23548728

IUPAC4-(2-methylpropylsulfanyl)pyridine
SMILESCC(C)CSc1ccncc1
InChIInChI=1S/C9H13NS/c1-8(2)7-11-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyRXXLAWALCPXXMY-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.83
Rot. Bonds3

About 4-(2-methylpropylsulfanyl)pyridine

4-(2-methylpropylsulfanyl)pyridine (PubChem CID 23548728) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-(2-methylpropylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(2-methylpropylsulfanyl)pyridine
PubChem CID23548728
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-(2-methylpropylsulfanyl)pyridine
SMILESCC(C)CSc1ccncc1
InChIInChI=1S/C9H13NS/c1-8(2)7-11-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3
InChIKeyRXXLAWALCPXXMY-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
2-hydroxy-3-pyridin-4-ylsulfanylpropanal
CID 88605473
4-(methoxymethylsulfanyl)pyridine
CID 127008965
acetic acid;3-(2-methylpropylsulfanyl)pyridine
CID 174761350
4-(2-methylpropylsulfanyl)benzoic acid
CID 16793794
benzyl 2-methyl-3-pyridin-4-ylsulfanylpropanoate
CID 106483812
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
magnesium;2-methylpropylsulfanylbenzene;bromide
CID 91655295
2-(2-methylpropylsulfanyl)pyridine-3,4-diamine
CID 130594047
2-[4-(2-methylpropylsulfanyl)phenyl]oxirane
CID 13456629
methyl-[4-(2-methylpropylsulfanyl)-2-pyridinyl]carbamic acid
CID 70941721
4-octadecylsulfanylpyridine
CID 177449547

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfanyl)pyridine?
The IUPAC name of 4-(2-methylpropylsulfanyl)pyridine (CID 23548728) is 4-(2-methylpropylsulfanyl)pyridine.
What is the SMILES notation for 4-(2-methylpropylsulfanyl)pyridine?
The canonical SMILES for 4-(2-methylpropylsulfanyl)pyridine is CC(C)CSc1ccncc1.
What is the InChIKey of 4-(2-methylpropylsulfanyl)pyridine?
The InChIKey is RXXLAWALCPXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-8(2)7-11-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-(2-methylpropylsulfanyl)pyridine?
4-(2-methylpropylsulfanyl)pyridine has a molecular weight of 167.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfanyl)pyridine is sourced from PubChem (CID 23548728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).