1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione

C8H11NS3 — CID 142212042

IUPAC1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C8H11NS3/c1-5-6(12-3)4-7(10)9(2)8(5)11/h4-5H,1-3H3
InChIKeySBMBSYYQBYSKOV-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.47
Rot. Bonds1

About 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione

1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (PubChem CID 142212042) has the molecular formula C8H11NS3 and a molecular weight of 217.38 g/mol. Its IUPAC name is 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Name1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
PubChem CID142212042
Molecular FormulaC8H11NS3
Molecular Weight217.38 g/mol
Exact Mass217.01
IUPAC Name1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
SMILESCSC1=CC(=S)N(C)C(=S)C1C
InChIInChI=1S/C8H11NS3/c1-5-6(12-3)4-7(10)9(2)8(5)11/h4-5H,1-3H3
InChIKeySBMBSYYQBYSKOV-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3,6-dihydro-2H-pyridine-1-carbodithioate
CID 59525195
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione;ethane
CID 142927882
3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142927887
4-ethylsulfanyl-1,3-dimethyl-3H-pyridine-2,6-dithione
CID 142927970
ethane;3-ethyl-1-methyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 143080069
ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080095
3-ethyl-1-iodo-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 165116370
3-ethyl-4-methylsulfanyl-1-propan-2-yl-3H-pyridine-2,6-dithione
CID 165116395
3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
CID 143080096

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The IUPAC name of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione (CID 142212042) is 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The canonical SMILES for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is CSC1=CC(=S)N(C)C(=S)C1C.
What is the InChIKey of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
The InChIKey is SBMBSYYQBYSKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS3/c1-5-6(12-3)4-7(10)9(2)8(5)11/h4-5H,1-3H3.
What are the key properties of 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione?
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione has a molecular weight of 217.38 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 142212042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).