4-methylsulfanyl-1,2-dihydropyridine

C6H9NS — CID 19962193

IUPAC4-methylsulfanyl-1,2-dihydropyridine
SMILESCSC1=CCNC=C1
InChIInChI=1S/C6H9NS/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyQOCYNNOXZJWRPC-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.35
Rot. Bonds1

About 4-methylsulfanyl-1,2-dihydropyridine

4-methylsulfanyl-1,2-dihydropyridine (PubChem CID 19962193) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 4-methylsulfanyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methylsulfanyl-1,2-dihydropyridine
PubChem CID19962193
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name4-methylsulfanyl-1,2-dihydropyridine
SMILESCSC1=CCNC=C1
InChIInChI=1S/C6H9NS/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyQOCYNNOXZJWRPC-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,2-dihydropyridine?
The IUPAC name of 4-methylsulfanyl-1,2-dihydropyridine (CID 19962193) is 4-methylsulfanyl-1,2-dihydropyridine.
What is the SMILES notation for 4-methylsulfanyl-1,2-dihydropyridine?
The canonical SMILES for 4-methylsulfanyl-1,2-dihydropyridine is CSC1=CCNC=C1.
What is the InChIKey of 4-methylsulfanyl-1,2-dihydropyridine?
The InChIKey is QOCYNNOXZJWRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-8-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3.
What are the key properties of 4-methylsulfanyl-1,2-dihydropyridine?
4-methylsulfanyl-1,2-dihydropyridine has a molecular weight of 127.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,2-dihydropyridine is sourced from PubChem (CID 19962193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).