ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione

C12H21NS3 — CID 143080095

IUPACethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
SMILESCC.CCSC1=CC(=S)N(C)C(=S)C1CC
InChIInChI=1S/C10H15NS3.C2H6/c1-4-7-8(14-5-2)6-9(12)11(3)10(7)13;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyVIXMODKALAYKEQ-UHFFFAOYSA-N
MW275.51 g/mol
LogP4.28
Rot. Bonds3

About ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione

ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione (PubChem CID 143080095) has the molecular formula C12H21NS3 and a molecular weight of 275.51 g/mol. Its IUPAC name is ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione.

Molecular Properties

Compound Nameethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
PubChem CID143080095
Molecular FormulaC12H21NS3
Molecular Weight275.51 g/mol
Exact Mass275.08
IUPAC Nameethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione
SMILESCC.CCSC1=CC(=S)N(C)C(=S)C1CC
InChIInChI=1S/C10H15NS3.C2H6/c1-4-7-8(14-5-2)6-9(12)11(3)10(7)13;1-2/h6-7H,4-5H2,1-3H3;1-2H3
InChIKeyVIXMODKALAYKEQ-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 54.28
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

5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 22085288
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
(2E)-N-ethyl-N-methyl-2-(2-sulfanylideneethylidene)thiolane-3-carbothioamide
CID 88873806
5-propan-2-yl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 89313632
6-Methyl-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5,7-dithione
CID 142135452
5-Tert-butyl-4-sulfanyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 142135477
5-tert-butyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135609
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
ethane;5-methyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135863
1,3-dimethyl-4-methylsulfanyl-3H-pyridine-2,6-dithione
CID 142212042
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

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione?
The IUPAC name of ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione (CID 143080095) is ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione.
What is the SMILES notation for ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione?
The canonical SMILES for ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione is CC.CCSC1=CC(=S)N(C)C(=S)C1CC.
What is the InChIKey of ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione?
The InChIKey is VIXMODKALAYKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS3.C2H6/c1-4-7-8(14-5-2)6-9(12)11(3)10(7)13;1-2/h6-7H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione?
ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione has a molecular weight of 275.51 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-ethylsulfanyl-1-methyl-3H-pyridine-2,6-dithione is sourced from PubChem (CID 143080095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).