6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine

C8H13NS2 — CID 59897658

IUPAC6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
SMILESCSC1=NC(C)=CC(SC)C1
InChIInChI=1S/C8H13NS2/c1-6-4-7(10-2)5-8(9-6)11-3/h4,7H,5H2,1-3H3
InChIKeyTWLFQZNBXHDGJP-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.79
Rot. Bonds1

About 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine

6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine (PubChem CID 59897658) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
PubChem CID59897658
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
SMILESCSC1=NC(C)=CC(SC)C1
InChIInChI=1S/C8H13NS2/c1-6-4-7(10-2)5-8(9-6)11-3/h4,7H,5H2,1-3H3
InChIKeyTWLFQZNBXHDGJP-UHFFFAOYSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine
CID 23555709
(4E)-4-ethylidene-2-methyl-5-prop-2-enyl-1,3-thiazole
CID 89367556
6-Methyl-3-methylsulfanyl-3,4-dihydropyridine
CID 143707893
(4Z)-2,5-dimethyl-4-propylidene-1,3-thiazole
CID 143927595
2,4-Dipropyl-1,1-bis(sulfanylidene)-1,3-thiazole
CID 149747986
4-ethyl-2-(3-methyl-2,3-dihydrothiophen-2-yl)-6H-1,3-thiazine
CID 155441163
(4E)-2,4-dimethyl-7,8-dihydro-6H-1,3-thiazocine
CID 168246257
2-methylsulfanyl-5-propan-2-yl-3H-pyrrole
CID 157191115
methyl-methylidene-(5-methyl-3H-pyrrol-2-yl)-lambda4-sulfane
CID 158304487
methyl N-[(E)-pent-2-en-2-yl]butanimidothioate
CID 168972526

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The IUPAC name of 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine (CID 59897658) is 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The canonical SMILES for 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine is CSC1=NC(C)=CC(SC)C1.
What is the InChIKey of 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
The InChIKey is TWLFQZNBXHDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-6-4-7(10-2)5-8(9-6)11-3/h4,7H,5H2,1-3H3.
What are the key properties of 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine?
6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine has a molecular weight of 187.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-bis(methylsulfanyl)-3,4-dihydropyridine is sourced from PubChem (CID 59897658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).