4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine

C8H10ClNS — CID 89315037

IUPAC4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
SMILESC=CSC1=C(C)NCC=C1Cl
InChIInChI=1S/C8H10ClNS/c1-3-11-8-6(2)10-5-4-7(8)9/h3-4,10H,1,5H2,2H3
InChIKeyHDQRUKUNMIOINK-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.82
Rot. Bonds2

About 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine

4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine (PubChem CID 89315037) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
PubChem CID89315037
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
SMILESC=CSC1=C(C)NCC=C1Cl
InChIInChI=1S/C8H10ClNS/c1-3-11-8-6(2)10-5-4-7(8)9/h3-4,10H,1,5H2,2H3
InChIKeyHDQRUKUNMIOINK-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine?
The IUPAC name of 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine (CID 89315037) is 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine.
What is the SMILES notation for 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine?
The canonical SMILES for 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine is C=CSC1=C(C)NCC=C1Cl.
What is the InChIKey of 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine?
The InChIKey is HDQRUKUNMIOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-3-11-8-6(2)10-5-4-7(8)9/h3-4,10H,1,5H2,2H3.
What are the key properties of 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine?
4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine has a molecular weight of 187.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine is sourced from PubChem (CID 89315037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).