5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine

C10H13NS — CID 142881167

IUPAC5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1ncc(C)cc1SC
InChIInChI=1S/C10H13NS/c1-4-5-9-10(12-3)6-8(2)7-11-9/h4-7H,1-3H3/b5-4+
InChIKeyXIRDBFSRTRQBAD-SNAWJCMRSA-N
MW179.29 g/mol
LogP3.15
Rot. Bonds2

About 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine

5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine (PubChem CID 142881167) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine
PubChem CID142881167
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine
SMILESC/C=C/c1ncc(C)cc1SC
InChIInChI=1S/C10H13NS/c1-4-5-9-10(12-3)6-8(2)7-11-9/h4-7H,1-3H3/b5-4+
InChIKeyXIRDBFSRTRQBAD-SNAWJCMRSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-methyl-2-[(Z)-prop-1-enyl]-3-pyridinyl]methanimine
CID 134331107
2,5-dimethyl-3-methylsulfanylpyridine
CID 59938108
2-fluoro-5-methyl-3-methylsulfanylpyridine
CID 164895334
ethane;5-methyl-3-methylsulfanylpyridin-2-amine
CID 171527271
3-methyl-8-methylsulfanylquinoline
CID 119092882
5-(3,4-difluorophenyl)-3-methyl-2-[(Z)-prop-1-enyl]pyridine
CID 146292521
5-(3-fluorophenyl)-3-methyl-2-[(Z)-prop-1-enyl]pyridine
CID 146292550
4-(3,5-dimethyl-2-pyridinyl)but-3-enal
CID 170481581
2-ethenyl-5-methylpyridine-3-thiol
CID 89029373
4-(3,5-dimethyl-2-pyridinyl)but-3-en-1-ol
CID 170476275
4-(3-amino-5-methyl-2-pyridinyl)but-3-enal
CID 170481520
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
CID 174808071

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine?
The IUPAC name of 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine (CID 142881167) is 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine.
What is the SMILES notation for 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine?
The canonical SMILES for 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine is C/C=C/c1ncc(C)cc1SC.
What is the InChIKey of 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine?
The InChIKey is XIRDBFSRTRQBAD-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-5-9-10(12-3)6-8(2)7-11-9/h4-7H,1-3H3/b5-4+.
What are the key properties of 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine?
5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine has a molecular weight of 179.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-methylsulfanyl-2-[(E)-prop-1-enyl]pyridine is sourced from PubChem (CID 142881167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).