2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine

C9H10ClNS — CID 131154641

IUPAC2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine
SMILESC=C(Cl)CSc1ccc(C)cn1
InChIInChI=1S/C9H10ClNS/c1-7-3-4-9(11-5-7)12-6-8(2)10/h3-5H,2,6H2,1H3
InChIKeyCHGHYEPZBMHOME-UHFFFAOYSA-N
MW199.71 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine

2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine (PubChem CID 131154641) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine
PubChem CID131154641
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine
SMILESC=C(Cl)CSc1ccc(C)cn1
InChIInChI=1S/C9H10ClNS/c1-7-3-4-9(11-5-7)12-6-8(2)10/h3-5H,2,6H2,1H3
InChIKeyCHGHYEPZBMHOME-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-5-methylpyridine
CID 135224790
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
2-[(2,5-dimethylphenyl)methylsulfanyl]-5-methylpyridine
CID 57219210
2-(2-chloroprop-2-enylsulfanyl)-5-methylaniline
CID 43302796
N-benzyl-N-ethyl-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007805
2-[(5-methyl-2-pyridinyl)sulfanylmethyl]butanal
CID 90335665
5-bromo-2-[2-(chloromethyl)prop-2-enylsulfanyl]pyridine
CID 103066315
2-methyl-3-[(5-methyl-2-pyridinyl)sulfanyl]propanal
CID 90335643
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007808
[3-[(5-methyl-2-pyridinyl)sulfanylmethyl]oxetan-3-yl]methanol
CID 111975959
(E)-6-[(5-methyl-2-pyridinyl)sulfanyl]hex-3-en-2-one
CID 90335629
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-[(3S)-2-oxothiolan-3-yl]acetamide
CID 124607487

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine?
The IUPAC name of 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine (CID 131154641) is 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine.
What is the SMILES notation for 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine?
The canonical SMILES for 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine is C=C(Cl)CSc1ccc(C)cn1.
What is the InChIKey of 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine?
The InChIKey is CHGHYEPZBMHOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c1-7-3-4-9(11-5-7)12-6-8(2)10/h3-5H,2,6H2,1H3.
What are the key properties of 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine?
2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine has a molecular weight of 199.71 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylsulfanyl)-5-methylpyridine is sourced from PubChem (CID 131154641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).