2-ethylsulfanyl-2,3-dihydropyridine

C7H11NS — CID 143495654

IUPAC2-ethylsulfanyl-2,3-dihydropyridine
SMILESCCSC1CC=CC=N1
InChIInChI=1S/C7H11NS/c1-2-9-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3
InChIKeyYALRMJUVSZFSPP-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.10
Rot. Bonds2

About 2-ethylsulfanyl-2,3-dihydropyridine

2-ethylsulfanyl-2,3-dihydropyridine (PubChem CID 143495654) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-ethylsulfanyl-2,3-dihydropyridine
PubChem CID143495654
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-ethylsulfanyl-2,3-dihydropyridine
SMILESCCSC1CC=CC=N1
InChIInChI=1S/C7H11NS/c1-2-9-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3
InChIKeyYALRMJUVSZFSPP-UHFFFAOYSA-N
XLogP2.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylthiopyridinylidenammoniumjodide
CID 129646503
6-propan-2-yl-2H-1,3-thiazine
CID 20700908
2-Methylsulfanyl-2,3-dihydropyridine
CID 53805724
3a,7a-Dihydrothieno[2,3-b]pyridine
CID 58315327
2,5,8,9-Tetrahydro-1,4-thiazonine
CID 67174515
2-(Pentylsulfanylmethyl)-2,3-dihydropyridine
CID 67904173
5-Methylsulfanyl-2,3-dihydropyridine
CID 68232477
2-(Methylsulfanylmethyl)-2,3-dihydropyridine
CID 70055439
2-(Methyldisulfanyl)-2,3-dihydropyridine
CID 89248582
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
N-[5-[ethyl(dimethyl)-lambda4-sulfanyl]hexa-2,5-dienyl]ethanimine
CID 123147571
3-Methylsulfanyl-2,3-dihydropyridine
CID 123154233

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 2-ethylsulfanyl-2,3-dihydropyridine (CID 143495654) is 2-ethylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 2-ethylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 2-ethylsulfanyl-2,3-dihydropyridine is CCSC1CC=CC=N1.
What is the InChIKey of 2-ethylsulfanyl-2,3-dihydropyridine?
The InChIKey is YALRMJUVSZFSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-9-7-5-3-4-6-8-7/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 2-ethylsulfanyl-2,3-dihydropyridine?
2-ethylsulfanyl-2,3-dihydropyridine has a molecular weight of 141.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 143495654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).